(17Z)-protosta-17(20),24-dien-3beta-ol
Basic information
- CAS
22879-37-4- Standard SMILES
CC(C)=CCC/C(C)=C1/CC[C@@]2(C)[C@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C- InChIKey
CKYVHRSYUPJCLG-PTZNGALWSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
(17Z)-protosta-17(20),24-dien-3beta-ol is a 3beta-hydroxy steroid having an ent-dammarane skeleton with a double bond at C-24 and a Z-double bond at C-17(20). It has a role as a metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a tetracyclic triterpenoid and a 3beta-hydroxy steroid. It derives from a hydride of a protostane.
Names & identifiers
- Preferred name
- (17Z)-protosta-17(20),24-dien-3beta-ol
- IUPAC
- (3S,5R,8S,9S,10R,13S,14S,17Z)-4,4,8,10,14-pentamethyl-17-(6-methylhept-5-en-2-ylidene)-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
Protostadienol(17Z)-protosta-17(20),24-dien-3beta-olprotosta-17(20)Z,24-dien-3beta-ol(17Z)-ent-10alpha-dammara-17,24-dien-3alpha-olSCHEMBL31197288CHEBI:62457DTXSID40122912022879-37-4Q27104899(17Z)-8alpha,9beta,13alpha,14beta-Dammara-17,24-dien-3beta-ol(3I(2),8I+/-,9I(2),13I+/-,14I(2),17Z)-Dammara-17(20),24-dien-3-ol
Database identifiers
- CAS
22879-37-4- PubChem CID
- 53239772
- DTXSID
DTXSID401229120- ChEBI
CHEBI:62457- Nikkaji
- J1.254.158I
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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