(1aS,3S,4S,5S,7R,7aS,8R,9R,10aR,12R,12aS)-3,4,7,8,9,10a-Hexakis(acetyloxy)tetradecahydro-2,2,9,12-tetramethyl-6-methylene-11-oxo-2H-cyclopenta[5,6]cyclododec[1,2-b]oxiren-5-yl 2-methylpropanoate
Basic information
- CAS
188640-74-6- Standard SMILES
C=C1C(OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)[C@H](C)[C@@H]2O[C@H]2C(C)(C)C(OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(=O)C(C)C- InChIKey
QLMXVPKQTUZUIB-SPLJKFTLSA-N- Molecular formula
- C36H50O16
- Average molar mass
- 738.8 g/mol
- Monoisotopic mass
- 738.3098855
Names & identifiers
- Preferred name
- (1aS,3S,4S,5S,7R,7aS,8R,9R,10aR,12R,12aS)-3,4,7,8,9,10a-Hexakis(acetyloxy)tetradecahydro-2,2,9,12-tetramethyl-6-methylene-11-oxo-2H-cyclopenta[5,6]cyclododec[1,2-b]oxiren-5-yl 2-methylpropanoate
- IUPAC
- [(1R,3R,4S,6S,9S,10S,13S,14R,15R)-1,8,9,12,14,15-hexaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-10-yl] 2-methylpropanoate
Names & synonyms
DTXSID801098480(1aS,3S,4S,5S,7R,7aS,8R,9R,10aR,12R,12aS)-3,4,7,8,9,10a-Hexakis(acetyloxy)tetradecahydro-2,2,9,12-tetramethyl-6-methylene-11-oxo-2H-cyclopenta[5,6]cyclododec[1,2-b]oxiren-5-yl 2-methylpropanoate
Database identifiers
- CAS
188640-74-6- PubChem CID
- 165366019
- Nikkaji
- J1.148.838B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,510
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Compound notes
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