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Andrographolide | 5508-58-7

Product name:Andrographolide

CAS No:5508-58-7
MF:C20H30O5
MW:350.4492
MDL:MFCD07778082
CID:45972
PubChem ID:24862550
Introduction
      Andrographolide(Andrographolide)Molecular formulaC20H30O5,Natural plantsAndrographis paniculataMain active ingredients of,It can dispel heat and detoxify,Anti inflammatory and analgesic effects,It has special curative effect on bacterial and viral upper respiratory tract infections and dysentery,Known as natural antibiotic drugs.This product is a diterpene lactone compound,Are insoluble in water,Usually, it can only be administered orally.
Names and Identifiers
  • Andrographolide
  • ANDRO
  • ANDROGRAPHIS
  • 3A,14,15,18-TETRAHYDROXY-5B,9B,H,10A-LAMBDA-8,20-DIENE
  • 2(3H)-FURANONE,3-[2-[(1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL]ETHYLIDENE]DIHYDRO-4-HYDROXY-, (3E,4S)-
  • 2(3h)-furanone,3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-met
  • hylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-,(1r-(1-alpha(e(s*)),4a-be
  • (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one
  • ANDROGRAPHOLIDE(P)
  • ANDROGRAPHOLIDE(SH) PrintBack
  • alpha-Chloro-p-xylene
  • Andrographalide
  • Andrographolid
  • Rhizoma Sparganii
  • (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone
  • ent-(3β,12E,14R)-3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide
  • andrographolidume
  • [ "" ]
  • 410105JHGR
  • Andropanolide
  • 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one
  • (3E,4S)-4-hydroxy-3
  • Andrographis
  • 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide
  • (ent-3&#946
  • ,12E,14R)-form
  • ANDROGRAPHOLIDE
  • [5508-58-7]
  • 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide
  • (ent-3&#946
  • ,12Z,14&#950
  • )-form
  • 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide
  • (ent-3&#946
  • ,12E,14S)-form
  • (1R-(1-alpha(E(S)),4abeta,5alpha,6alpha,8aalpha))-3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-2(3H)-furanone
  • andrographolide
  • SMR001215694
  • 3alpha,14,15,18-tetrahydroxy-5b,9bH,10a-labda-8(20),12-dien-16-oic acid gamma-Lactone
  • 14-Epiandrographolide
  • MLS001143510
  • 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one
  • (-)-Andropanolide
  • MLSMR
  • 3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide
  • (ent-3&#946
  • ,12Z,14R)-form
  • MDL:MFCD07778082
  • InChIKey:BOJKULTULYSRAS-OTESTREVSA-N
  • Inchi:1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
  • SMILES:O([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])/C(/[H])=C3/C(=O)OC([H])([H])[C@@]/3([H])O[H])C(=C([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])O[H]
  • BRN:42762
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 350.4g/mol
  • Surface Charge: 0
  • XLogP3: 2.2
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 3
  • Monoisotopic Mass: 350.209324g/mol
  • Monoisotopic Mass: 350.209324g/mol
  • Topological Polar Surface Area: 87Ų
  • Heavy Atom Count: 25
  • Complexity: 597
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Tautomer Count: nothing
  • Surface Charge: 0

Experimental Properties

  • LogP: 1.96260
  • PSA: 86.99000
  • Merck: 633
  • Refractive Index: 1.567
  • Boiling Point: 557.3 °C at 760 mmHg
  • Melting Point: 229.0 to 235.0 deg-C
  • Flash Point: 557.3 °C at 760 mmHg
  • Color/Form: White square or rectangular crystals
  • Solubility: Soluble in boiling ethanol, slightly soluble in methanol or ethanol, very slightly soluble in chloroform, insoluble in water or ether.
  • λmax: 223(MeOH)(lit.)
  • Specific Rotation: -126 º (c=1.5,HAc)
  • Optical Activity: [α]20/D −126°, c = 1.5 in acetic acid
  • Density: d421 1.2317
Security Information
  • RTECS:LU3490750
  • WGK Germany:3
  • Safety Instruction:S22-S24/25
  • Risk Phrases:R20/21/22
  • Dangerous goods sign: Xn Xn
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302-H315-H319-H332-H335
  • Warning Statement:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Hazard Category Code:20/21/22-36/37/38
  • Signal Word:Warning
Customs Data
  • HS CODE:29322980
  • Customs Data:

    China Customs Code:

    29322980
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    (CAS:5508-58-7)Andrographolide

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