Basic information
- CAS
74516-65-7- Standard SMILES
CC1CCOC(=O)/C=C/C=C/C(=O)OC2CC3OC4C(Br)C(C)(O)CCC4(COC(=O)C1O)C2(C)C31CO1- InChIKey
BIUCBVHMYZOBBL-YDFGWWAZSA-N- Molecular formula
- C27H35BrO10
- Average molar mass
- 599.5 g/mol
- Monoisotopic mass
- 598.14136
Names & identifiers
- Preferred name
- Verrucarin A 9.10-bromohydrin
- IUPAC
- (18E,20E)-4-bromo-5,12-dihydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-18,20-diene-26,2'-oxirane]-11,17,22-trione
Names & synonyms
Verrucarin A 9.10-bromohydrin74516-65-7VERRUCARIN A 9,10-BROMOHYDRINNSC319419NSC-319419
Database identifiers
- CAS
74516-65-7- PubChem CID
- 5477441
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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