Anguidine deriv 3,15-diacetoxyscirpene-4-ol
Basic information
- CAS
6121-60-4- Standard SMILES
CC(=O)OC[C@]12CCC(C)=CC1O[C@@H]1C(OC(C)=O)[C@@H](O)[C@@]2(C)[C@]12CO2- InChIKey
ZPPOOYJPNZHNBT-ZZYSVPOESA-N- Molecular formula
- C19H26O7
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.16785316
Overview
See also: Scirpenol 3,15-diacetate (annotation moved to).
Names & identifiers
- Preferred name
- Anguidine deriv 3,15-diacetoxyscirpene-4-ol
- IUPAC
- [(1S,2R,9R,11S,12S)-10-acetyloxy-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Names & synonyms
Anguidine deriv 3,15-diacetoxyscirpene-4-olNSC301462DTXSID90976720(3.alpha.,15-Diacetoxyscirpene-4-ol4-hydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate(11xi)-4-Hydroxy-4beta-12,13-epoxytrichothec-9-ene-3,15-diyl diacetateTrichothec-9-ene-3,15-triol, 12,13-epoxy-, 3,15-diacetate, (3.alpha.,4.beta.)-
Database identifiers
- CAS
6121-60-4- PubChem CID
- 327233
- DTXSID
DTXSID90976720
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 687
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Related reactions
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Compound notes
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