Found 1 result

Search term: mogrol (Found by synonym)
ChemSpider 2D Image | (1S,4R,9beta,11alpha,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol | C30H52O4

(1S,4R,9β,11α,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID26613401

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-diol
(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthrene-7,10-diol
(1S,4R,9β,11α,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-en-1,11,24,25-tetrol [German] [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholest-5-ène-1,11,24,25-tétrol [French] [ACD/IUPAC Name]
88930-15-8 [RN]
Estr-5-ene-3,11-diol, 17-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (3β,9β,10α,11α,17β)- [ACD/Index Name]
(10α,24R)-9β-Methyl-19-norlanosta-5-ene-3β,11α,24,25-tetrol
(24R)-cucurbit-5-ene-3β,11α,24,25-tetraol
(3?,?9?,?10?,?11?,?24R)?-9-?methyl-19-?Norlanost-?5-?ene-?3,?11,?24,?25-?tetrol?
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  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24<stereo >R</stereo> stereoisomer). It is a biometabolite of mogrosides found in <ital>Siraitia grosvenorii</ital>. ChEBI CHEBI:138974
      A tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stere oisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138974, CHEBI:138974

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 242.9±24.7 °C
Index of Refraction: 1.553
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5921.96
ACD/KOC (pH 5.5): 17455.12
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5921.96
ACD/KOC (pH 7.4): 17455.12
Polar Surface Area: 81 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

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