Cas no 10346-44-8 (Cholesta-5,7-dien-3-ol,(3b,9b)- (9CI))
10346-44-8 structure
Product Name:Cholesta-5,7-dien-3-ol,(3b,9b)- (9CI)
CAS No:10346-44-8
MF:C27H44O
MW:384.637668609619
CID:221692
PubChem ID:7059393
Update Time:2025-04-19
Cholesta-5,7-dien-3-ol,(3b,9b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholesta-5,7-dien-3-ol,(3b,9b)- (9CI)
- (9β)-Cholesta-5,7-dien-3β-ol
- 9b-Cholesta-5,7-dien-3b-ol (8CI)
- Isopyrocholecalciferol
- Isopyrovitamin D3
- (3S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- (9beta)-Cholesta-5,7-dien-3beta-ol
- 10346-44-8
-
- Inchi： 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26+,27-/m1/s1
- InChI Key： UCTLRSWJYQTBFZ-LQCCRBSQSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC=C1[C@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 384.339
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 643
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 8
Experimental Properties
- PSA: 52.54
Cholesta-5,7-dien-3-ol,(3b,9b)- (9CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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