Found 4 results

Search term: KZIADLALQLRZIQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,5beta,9xi,10alpha,12beta)-3-Hydroxy-12,16-epoxyabieta-8(14),13(15)-dien-16-one | C20H28O3

(3α,5β,9ξ,10α,12β)-3-Hydroxy-12,16-epoxyabieta-8(14),13(15)-dien-16-one

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID90615797

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3α,5β,9ξ,10α,12β)-3-Hydroxy-12,16-epoxyabieta-8(14),13(15)-dien-16-on [German] [ACD/IUPAC Name]
(3α,5β,9ξ,10α,12β)-3-Hydroxy-12,16-epoxyabieta-8(14),13(15)-dien-16-one [ACD/IUPAC Name]
(3α,5β,9ξ,10α,12β)-3-Hydroxy-12,16-époxyabiéta-8(14),13(15)-dién-16-one [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-9(1H)-one, 2,3,4,4a,5,6,10a,11,11a,11b-decahydro-3-hydroxy-4,4,8,11b-tetramethyl-, (3R,4aS,10aR,11bS)- [ACD/Index Name]
(3R,4aS,10aR,11bS)-3-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
84744-64-9 [RN]
CID 154814115
helioscopinolide 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: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 206.1±22.9 °C
Index of Refraction: 1.567
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 798.26
ACD/KOC (pH 5.5): 4158.70
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 798.26
ACD/KOC (pH 7.4): 4158.70
Polar Surface Area: 47 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


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