Found 56 results

Search term: MF = 'C_{31}H_{34}O_{8}'
ChemSpider 2D Image | Methyl (2Z)-2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-11a-hydroperoxy-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopr opa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate | C31H34O8

Methyl (2Z)-2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-11a-hydroperoxy-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopr opa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate

  • Molecular FormulaC31H34O8
  • Average mass534.597 Da
  • Monoisotopic mass534.225342 Da
  • ChemSpider ID58921337

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2Z)-2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-11a-Hydroperoxy-2-hydroxy-1b,7,10b-triméthyl-9-méthylène-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadécahydrocyclopropa[4,5 ]cyclopropa[4',5']cyclopenta[1',2':7,8]acéphénanthryléno[10a,10-b]furan-4(1H)-ylidène]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2Z)-2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-11a-hydroperoxy-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopr opa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate [ACD/IUPAC Name]
Methyl-(2Z)-2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-11a-hydroperoxy-2-hydroxy-1b,7,10b-trimethyl-9-methylen-3,6-dioxo-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydrocyclopro pa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-yliden]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(1aR,1bS,2R,4bR,8aS,9aS,10aR,10bS,10cS,11aS,11bS)-1a,1b,2,3,6,8,8a,9,9a,10,10a,10b,10c,11,11a,11b-hexadecahydro-11a-hydroperoxy-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxocyc lopropa[4,5]cyclopropa[4',5']cyclopent[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 253.0±26.4 °C
Index of Refraction: 1.659
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.66
ACD/KOC (pH 5.5): 2753.26
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.63
ACD/KOC (pH 7.4): 2753.05
Polar Surface Area: 119 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 368.1±5.0 cm3

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