ChemSpider 2D Image | Salaspermic acid | C30H48O4

Salaspermic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23327152

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosan-11-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid [ACD/IUPAC Name]
5H-3,5a-Methanochryseno[2,1-c]oxepin-12-carboxylic acid, eicosahydro-3-hydroxy-7b,9a,12,13b,15a,16-hexamethyl-, (3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)- [ACD/Index Name]
71247-78-4 [RN]
Acide (1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexaméthyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tétracosane-11-carboxylique [French] [ACD/IUPAC Name]
Salaspermic acid
(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid
(3S,5aR,7aS,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-3-hydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-3,5a-methanochryseno[2,1-c]oxepine-12(5H)-carboxylic acid
(3β,20α)-3,24-Epoxy-3-hydroxy-D:A-friedooleanan-29-oic acid
MFCD09838036
  • Miscellaneous

    • Chemical Class:

      A hexacyclic triterpenoid that is D:A-friedooleanan-29-oic acid substituted by a hydroxy group at position 3 and an epoxy group across positions 3 and 24 (the (3<stereo>beta</stereo>,20<stereo>alpha</ stereo> stereoisomer). Isolated from <ital>Salacia macrosperma</ital> and <ital>Tripterygium wilfordii</ital>, it exhibits anti-HIV activity. ChEBI CHEBI:66153
      A hexacyclic triterpenoid that is D:A-friedooleanan-29-oic acid substituted by a hydroxy group at position 3 and an epoxy group across positions 3 and 24 (the (3beta,20alpha stereoisomer). Isolated fr om Salacia macrosperma and Tripterygium wilfordii, it exhibits anti-HIV activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66153, CHEBI:66153

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 571.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 178.9±16.7 °C
Index of Refraction: 1.566
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 29544.43
ACD/KOC (pH 5.5): 32908.62
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 474.81
ACD/KOC (pH 7.4): 528.88
Polar Surface Area: 67 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

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