Basic information
- CAS
1392-51-4- Standard SMILES
COC[C@]12CC[C@@H](C)[C@H](C)[C@H]1[C@@]1(O)C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2- InChIKey
SQYPHCMLIZHTPW-LWIDLGQCSA-N- Molecular formula
- C31H50O3
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.37599545
Overview
Momordicin-28 has been reported in Momordica charantia with data available.
Names & identifiers
- Preferred name
- Momordicin
- IUPAC
- (4aR,6aR,6aS,6bS,8aS,11R,12S,12aR,14aR,14bS)-6a-hydroxy-8a-(methoxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picen-3-one
Names & synonyms
Momordicin-28MomordicinBWR6B8CZ53(4aR,6aR,6aS,6bS,8aS,11R,12S,12aR,14aR,14bS)-6a-hydroxy-8a-(methoxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picen-3-oneRefChem:1089793Momordicin, (+)-13-Hydroxy-28-methoxyurs-11-en-3-oneUNII-BWR6B8CZ53URS-11-EN-3-one, 13-hydroxy-28-methoxy-CHEMBL5816719SCHEMBL21264219BDBM604154
Show more names
US11660306, Example MomordicinQ6897442
Database identifiers
- CAS
1392-51-4- PubChem CID
- 57518366
- ChEMBL
CHEMBL5816719- UNII
- BWR6B8CZ53
- Nikkaji
- J817.933F
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 891
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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