ChemSpider 2D Image | Fumigacin | C33H44O8

Fumigacin

  • Molecular FormulaC33H44O8
  • Average mass568.698 Da
  • Monoisotopic mass568.303589 Da
  • ChemSpider ID2273343

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17,24-trien-21-oic acid [ACD/IUPAC Name]
(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17,24-trien-21-säure [German] [ACD/IUPAC Name]
(Z)-6b,16b-Dihydroxy-3,7-dioxo-29-nor-8a,9b,13a,14b-dammara-1,17(20),24-trien-21-oic Acid Diacetate
29400-42-8 [RN]
5-Heptenoic acid, 2-[(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]
Acide (4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-diacétoxy-4,8,14-triméthyl-3,7-dioxo-18-norcholesta-1,17,24-trién-21-oïque [French] [ACD/IUPAC Name]
Fumigacin
Helvolic Acid
MZX54GS8AH
(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-diacetoxy-3,7-diketo-4,8,10,14-tetramethyl-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
More...

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

3230584 [DBID]
AIDS086417 [DBID]
AIDS-086417 [DBID]
BRN 3230584 [DBID]
NSC 319943 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 209.0±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 165.09
ACD/KOC (pH 5.5): 515.27
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 9.36
Polar Surface Area: 124 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 470.0±5.0 cm3

Click to predict properties on the Chemicalize site


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