Cucurbitane
Basic information
- CAS
65441-59-0- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4[C@@H](CCCC4(C)C)[C@]3(C)CC[C@]12C- InChIKey
ZYZJWAJOTPNVPI-ZVBSCDOUSA-N- Molecular formula
- C30H54
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.42255172
Overview
Cucurbitane is a triterpene that is an isomer of lanostane obtained by migration of the methyl group from 10 to the 9beta position.
Names & identifiers
- Preferred name
- Cucurbitane
- IUPAC
- (8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
CucurbitaneVQU8QE865A65441-59-0CHEBI:73245DTXSID50745373(4R,9beta)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholestaneRefChem:128727DTXCID401529572UNII-VQU8QE865A19-Norlanostane, 9-methyl-, (5xi,9beta,10alpha)-(5xi,9beta,10alpha)-9-Methyl-19-norlanostane(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-17-((2R)-6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene
Show more names
(5R,8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthreneSCHEMBL29364678(5.XI.,9.BETA.,10.ALPHA.)-9-METHYL-19-NORLANOSTANE(4R)-9alpha,10,14-Trimethyl-8beta-4,9-cyclo-9,10-secocholestane
Database identifiers
- CAS
65441-59-0- PubChem CID
- 71306377
- DTXSID
DTXSID50745373- ChEBI
CHEBI:73245- UNII
- VQU8QE865A
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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