29-Hydroxyolean-12-en-3-one
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Basic information
- CAS
152253-67-3- Standard SMILES
CC1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12- InChIKey
LZJSBKQYABASHG-OQYAAAAFSA-N- Molecular formula
- C30H48O2
- Average molar mass
- 440.712 g/mol
- Monoisotopic mass
- 440.36543078
Names & identifiers
- Preferred name
- 29-Hydroxyolean-12-en-3-one
- IUPAC
- 29-Hydroxyolean-12-en-3-one
- English name
- mupinensisone
- Molecular formula
- C30H48O2
- Molecular weight
- 440.7
Names & synonyms
mupinensisone(20alpha)-29-Hydroxyolean-12-en-3-oneOlean-12-en-3-one, 29-hydroxy-, (20α)-(4aR,6aR,6bS,8aS,11R,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Database identifiers
- CAS
152253-67-3- PubChem CID
- 158802
- DTXSID
DTXSID40934456
Properties
Physicochemical properties
- Boiling point
- 522.7 · 522.7±50.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Chemistry & industry
Applications
UsesMupinensisone is a Triterpenoids product that can be isolated from the herbs of Celastrus paniculatus[1].
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Related reactions
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Compound notes
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