Basic information
- CAS
24480-42-0- Standard SMILES
CC(=O)OC1CC(OC(C)=O)C2(C)C3C(OCC13C)C(OC(=O)/C=C/c1ccccc1)C1(C)C3=C(C)C(c4ccoc4)CC3OC(O)CC12- InChIKey
YVGHEOPJZLXYKH-OUKQBFOZSA-N- Molecular formula
- C39H46O10
- Average molar mass
- 674.8 g/mol
- Monoisotopic mass
- 674.30909766
Names & identifiers
- Preferred name
- Nimbolin B
- IUPAC
- [17,19-diacetyloxy-8-(furan-3-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-3-phenylprop-2-enoate
Names & synonyms
Nimbolin BNimbolin B, (-)-24480-42-0Cinnamic acid, 2beta-(3-furyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a- tetradecahydro-5,7beta,9beta-trihydroxy- 1,6balpha,9aalpha,12aalpha-tetramethyl-2H,5H-cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-12beta-yl ester 7,9-diacetate, (-)-
Database identifiers
- CAS
24480-42-0- PubChem CID
- 6443005
- Nikkaji
- J152.106C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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