Cas no 25692-13-1 (Cyclobranol)
Cyclobranol structure
Product Name:Cyclobranol
CAS No:25692-13-1
MF:C31H52O
MW:440.743989944458
CID:266649
PubChem ID:13920164
Update Time:2024-02-29
Cyclobranol Chemical and Physical Properties
Names and Identifiers
-
- 9,19-Cyclolanost-24-en-3-ol,24-methyl-, (3b)-
- 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-3-olderiv.
- 24-Methylcycloartenol
- 9,19-Cyclo-9b-lanost-24-en-3b-ol, 24-methyl- (7CI,8CI)
- Cyclobranol
- CIBNJPPYSPYHDB-UEBIAWITSA-N
- 25692-13-1
- (3beta,9beta)-24-methyl-9,19-cyclolanost-24-en-3-ol
- CHEMBL225817
- DTXSID701318100
- (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
- SCHEMBL1653290
-
- Inchi： 1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
- InChI Key： CIBNJPPYSPYHDB-UEBIAWITSA-N
- SMILES： O[C@H]1CC[C@@]23[C@H](C1(C)C)CC[C@H]1[C@]4(C)CC[C@H]([C@H](C)CC/C(=C(\C)/C)/C)[C@@]4(C)CC[C@@]21C3
Computed Properties
- Exact Mass: 440.401816278g/mol
- Monoisotopic Mass: 440.401816278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 803
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 10.4
Cyclobranol Related Literature
-
Eri Kobayashi,Junya Ito,Shunji Kato,Kazue Sawada,Midori Matsuki,Hiroyuki Hashimoto,Teruo Miyazawa,Kiyotaka Nakagawa Food Funct. 2016 7 4816
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