Morolic Acid
Basic information
- CAS
559-68-2- Standard SMILES
CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1- InChIKey
RGZSSKBTFGNUCG-VNTGHVHSSA-N- Molecular formula
- C30H48O3
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.36034539
Overview
Morolic acid has been reported in Stenocereus eruca, Orthopterygium, and other organisms with data available.
Names & identifiers
- Preferred name
- Morolic Acid
- IUPAC
- (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
- English name
- Olean-18-en-28-oic acid,3-hydroxy-,(3b)-
- Molecular formula
- C30H48O3
- Molecular weight
- 456.7
Names & synonyms
Morolic acid559-68-2(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acidDTXSID001317975RefChem:159740DTXCID201747768CHEMBL463665Agauriolic acidOlean-18-en-28-oic acid,3-hydroxy-,(3b)-3beta-Hydroxyolean-18-en-28-oic acidorb1682082SCHEMBL3678795
Show more names
3β-Hydroxyolean-18-en-28-oic acidOlean-18-en-28-oic acid,3-hydroxy-,(3b)-Olean-18-en-28-oic acid, 3-hydroxy-, (3β)-
HY-N83793.beta.-Hydroxy-3-deoxymoronic acidBDBM50391854TN4584AKOS0407620703|?-Hydroxyolean-18-en-28-oic acidDA-65614CS-0143773
Database identifiers
- CAS
559-68-2
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 885
Physicochemical properties
- Melting point
- 309 °C · 309 °C
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.70(Predicted)
Chemistry & industry
Applications
UsesMorolic acid (compound 6) can be isolated from Phoradendron brachystachyum DC Nutt. Morolic acid has antiretroviral activity[1].
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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