(6E,10E,19Z)-7,11,19-trimethyl-16-propan-2-yl-24,26-dioxapentacyclo[13.7.2.12,13.13,13.01,14]hexacosa-3(25),6,10,19-tetraen-23-one
Basic information
- CAS
126770-37-4- Standard SMILES
C/C1=C/CCC23C(=O)OC(C(C(C)C)CC1)C2C12C=C(CC/C=C(\C)CC/C=C(\C)C1)C3O2- InChIKey
RHFOIVCXBQDVCO-ZUITVLSZSA-N- Molecular formula
- C30H42O3
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.3133952
Names & identifiers
- Preferred name
- (6E,10E,19Z)-7,11,19-trimethyl-16-propan-2-yl-24,26-dioxapentacyclo[13.7.2.12,13.13,13.01,14]hexacosa-3(25),6,10,19-tetraen-23-one
- IUPAC
- (6E,10E,19Z)-7,11,19-trimethyl-16-propan-2-yl-24,26-dioxapentacyclo[13.7.2.12,13.13,13.01,14]hexacosa-3(25),6,10,19-tetraen-23-one
- English name
- versicolactone D
- Molecular formula
- C30H42O3
- Molecular weight
- 450.65
Names & synonyms
versicolactone D2H,9H,11H-9,20-Epoxy-1,8a-(epoxymethano)-20,10-methenocyclodecacyclotetradecen-23-one, 1,3,4,7,8,12,15,16,19,20a-decahydro-5,14,18-trimethyl-2-(1-methylethyl)-, (1R,2S,5E,8aS,9R,13E,17E,20S,20aS)-rel-
Database identifiers
- CAS
126770-37-4- PubChem CID
- 6443979
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 934
Physicochemical properties
- Boiling point
- 609.7 · 609.7±55.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
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