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Search term: LJWAEAIXBCCHLR-ITWKNSBQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Balsaminapentaol | C30H50O5

Balsaminapentaol

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID24531941

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,4S,7S,9β,10S,23R,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,25-dien-1,7,19,23,24-pentol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,25-diene-1,7,19,23,24-pentol [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R,24R)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholesta-5,25-diène-1,7,19,23,24-pentol [French] [ACD/IUPAC Name]
(3β,4β,7β,9β,10α,23R,24R)-4-(Hydroxymethyl)-4,9,14-trimethyl-19-norcholesta-5,25-diene-3,7,23,24-tetrol
1189131-49-4 [RN]
Balsaminapentaol [Wiki]
Cucurbita-5,25-diene-3β,7β,23R,24R,29-pentaol
Estr-5-ene-3,7-diol, 17-[(1R,3R,4R)-3,4-dihydroxy-1,5-dimethyl-5-hexen-1-yl]-4-(hydroxymethyl)-4,9,14-trimethyl-, (3β,4β,7β,9β,10α,17β)- [ACD/Index Name]
(1S,4S,9β,10S,23R,24R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,25-diene-1,7,19,23,24-pentol
BALSAMINAPENTAOL A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 263.4±26.1 °C
Index of Refraction: 1.570
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 555.44
ACD/KOC (pH 5.5): 3207.85
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 555.44
ACD/KOC (pH 7.4): 3207.85
Polar Surface Area: 101 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 425.4±5.0 cm3

Click to predict properties on the Chemicalize site


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