Basic information
- CAS
132536-74-4- Standard SMILES
CC1=C2CC3C(CC(C)C24CC1C1(C4)C(=O)OC2CC(C)C4CC(O)OC(O)C4(C)CC21)OC(=O)C3C- InChIKey
MINKPZFTHWCOMA-UHFFFAOYSA-N- Molecular formula
- C30H42O7
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.29305367
Names & identifiers
- Preferred name
- Biennin C
- IUPAC
- 12',14'-dihydroxy-1',2,7,9',11-pentamethylspiro[5-oxatetracyclo[10.2.1.01,10.04,8]pentadec-10-ene-13,4'-6,13-dioxatricyclo[8.4.0.03,7]tetradecane]-5',6-dione
Names & synonyms
132536-74-4Biennin CDTXSID109277145,7-Dihydroxy-3',4a,5',9,9'-pentamethyl-3a,3'a,4,4',4a,5,6',7,8,8a,9,9',10,10',10a,10'a-hexadecahydro-2H,8'H-spiro[furo[2',3':5,6]cyclohepta[1,2-c]pyran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-2,2'(3'H)-dione
Database identifiers
- CAS
132536-74-4- PubChem CID
- 179869
- DTXSID
DTXSID10927714
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…