Basic information
- Standard SMILES
C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C- InChIKey
WZZAXQGYJDXEDP-UJBPRPQUSA-N- Molecular formula
- C31H48O3
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.3603454
Overview
(23E)-3beta-Hydroxy-7beta-methoxycucurbita-5,23,25-triene-19-al has been reported in Momordica charantia with data available.
Names & identifiers
- Preferred name
- (23E)-3Beta-Hydroxy-7Beta-Methoxycucurbita-5,23,25-Trien-19-Al
- IUPAC
- (3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Names & synonyms
HMCT cpdRefChem:905780(23E)-3beta-hydroxy-7beta-methoxycucurbita-5,23,25-trien-19-al(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-7-methoxy-4,4,13,14-tetramethyl-17-((2R,4E)-6-methylhepta-4,6-dien-2-yl)-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthrene-9-carbaldehyde857028-21-8CHEMBL252511
Database identifiers
- ChEMBL
CHEMBL252511- Nikkaji
- J2.189.637C
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 883
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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