Basic information
- Standard SMILES
COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O- InChIKey
PMTSPAGBAFCORP-UHFFFAOYSA-N- Molecular formula
- C30H44O9
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 548.29853298
Overview
peruvoside has been reported in Thevetia neriifolia and Thevetia peruviana with data available.
Names & identifiers
- Preferred name
- 3-[(6-Deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
- IUPAC
- 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Names & synonyms
MLS0026959703-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolideDTXSID40871832SMP1_000233SMR001562125DB-041393Peruvoside from Thevetia neriifolia, ~90%, powder
Database identifiers
- PubChem CID
- 4749
- DTXSID
DTXSID40871832
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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