Basic information
- CAS
62640-13-5- Standard SMILES
C=C1C(C2(C)C(OC(C)=O)CC(=O)OCC3(C)OC(=O)CC32)C(OC=O)C(OC(=O)C(OC(C)=O)C(C)CC)C2(C)C(c3ccoc3)CC3OC132- InChIKey
BILAMKFGAFCWCS-UHFFFAOYSA-N- Molecular formula
- C37H46O14
- Average molar mass
- 714.8 g/mol
- Monoisotopic mass
- 714.28875614
Overview
Dregeanin has been reported in Leplaea thompsonii and Trichilia dregeana with data available.
Names & identifiers
- Preferred name
- [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoate
- IUPAC
- [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoate
Names & synonyms
62640-13-5NSC324050DREGEANIN[6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoateDTXSID30330862NSC-3240506-[5-(Acetyloxy)-4,9a-dimethyl-2,7-dioxooctahydro-2H-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylideneoctahydroindeno[1,7a-b]oxiren-4-yl 2-(acetyloxy)-3-methylpentanoate
Database identifiers
- CAS
62640-13-5- PubChem CID
- 433157
- DTXSID
DTXSID30330862
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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