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Lactoyl-CoA Triclocarban 133-53-9 88-04-0 β-Fructofuranosidase
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  2. 82601-41-0

82601-41-0

（name: Pseudolaric acid C）
82601-41-0
Product name：Pseudolaric acid C
CAS No：82601-41-0
MF：C21H26O7
MW：390.426947116852
MDL：MFCD16660657
CID：823209
PubChem ID：6440704

Related Compounds

Introduction

Pseudolaric C C is a diterpenoid acid isolated from the root bark of Pseudolarix amabilis, which has antifungal activity

Names and Identifiers

  • Pseudolaric Acid C
  • PseudolaricAcid?C
  • Deacetylpseudolaric acid B
  • (3R,4R,4aS,9aR)-rel-3-[(1E,3E)-4-Carboxy-1,3-pentadienyl]-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid 7-methyl ester
  • Pseudolaric-Acid-C
  • pseudolaric acid C1
  • 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 3-((1E,3E)-4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-,7-methyl ester, (3R,4R,4aS,9aR)-rel-
  • N2140
  • 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 3-(4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-, 7-methyl ester, [3α(1E,3E),4α,4aα,9aα]- (ZCI)
  • 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 3-[(1E,3E)-4-carboxy-1,3-pentadienyl]-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-, 7-methyl ester, (3R,4R,4aS,9aR)-rel- (9CI)
  • NSC 377107
  • Pseudolaric acid C
  • 5-(7-Hydroxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl)-2-methylpenta-2,4-dienoic acid
  • 82601-41-0
  • PSEUDOLARIC ACID C
  • (2E,4E)-5-[(1R,7S,8R,9R)-7-hydroxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
  • AC-34827
  • AKOS037514805
  • HY-N0672
  • (2E,4E)-5-[(7S,1R,8R)-7-Hydroxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
  • MS-26502
  • CHEMBL225131
  • CS-0009704
  • PSEUDOLARICACIDC
  • DA-66986
  • DA-66986
  • MDL：MFCD16660657
  • InChIKey：RBXVTEUAOTYIME-GPGKBOPFSA-N
  • Inchi：1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19+,20+,21-/m0/s1
  • SMILES：O[C@]12CCC(C(=O)OC)=CC[C@@]31CC[C@H]2[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O

Chemical and Physical Properties

Computed Properties

  • Exact Mass: 390.4g/mol
  • Surface Charge: 0
  • XLogP3: 1.8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 390.167853g/mol
  • Monoisotopic Mass: 390.167853g/mol
  • Topological Polar Surface Area: 110Ų
  • Heavy Atom Count: 28
  • Complexity: 808
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 2.29980
  • PSA: 110.13000
  • Refractive Index: 1.584
  • Boiling Point: 613.2°C at 760 mmHg
  • Flash Point: 214.8°C
  • Color/Form: Powder
  • Density: 1.31

Synthetic Circuit

Synthetic Circuit 1
82508-31-4
82508-31-4
>
82601-41-0
82601-41-0
Reaction Conditions
1.1 Solvents: Methanol
Reference
Thermodynamic theory of gases on solid interface adsorption isotherms
Li, Xueliang; et al, Huaxue Tongbao, 1995, (7), 57-61
Synthetic Circuit 2
98891-41-9
98891-41-9
>
82601-41-0
82601-41-0
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol
2.1 Solvents: Methanol
Reference
Thermodynamic theory of gases on solid interface adsorption isotherms
Li, Xueliang; et al, Huaxue Tongbao, 1995, (7), 57-61

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