(2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enal
Basic information
- CAS
96574-03-7- Standard SMILES
CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3- InChIKey
BDXXTCGLJBYHHM-MSEDFXBCSA-N- Molecular formula
- C30H48O2
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.36543077
Names & identifiers
- Preferred name
- (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enal
- IUPAC
- (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enal
- English name
- 3beta-Hydroxylanosta-8,24-diene-21-al
- Molecular formula
- C30H48O2
- Molecular weight
- 440.7
Names & synonyms
96574-03-73beta-Hydroxylanosta-8,24-diene-21-al(2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enal(2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enalorb1941433orb1992695SCHEMBL28368196DTXSID909144453-Hydroxylanosta-8,24-dien-21-alFS-7700(2R)-2-((3S,10S,13R,14R,17R)-3-Hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methyl-5-heptenalDA-69946
Show more names
3β-Hydroxylanosta-8,24-dien-21-al3β-Hydroxylanosta-8,24-diene-21-al3-β-hydroxylanosta-8,24-dien-21-alLanosta-8,24-dien-21-al, 3-hydroxy-, (3β)-(3beta,5xi)-3-hydroxylanosta-8,24-dien-21-al
(5xi)-3beta-Hydroxylanosta-8,24-dien-21-alE89037T123844
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 815
Physicochemical properties
- Boiling point
- 529.2 · 529.2±50.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 15.15 · 15.15±0.70(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
Uses3β-Hydroxylanosta-8,24-dien-21-al is a lanostane-type triterpene. 3β-Hydroxylanosta-8,24-dien-21-al can inhibit the tumor promotion, reducing the percentage of mice bearing papillomas[1].
Related reactions
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Compound notes
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