Cas no 18188-11-9 ((1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol)
![(1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol structure](https://ossimg.kuujia.com/scimg/18500/18188-11-9x500.png)
18188-11-9 structure
Product Name:(1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol
CAS No:18188-11-9
MF:C30H52O2
MW:444.732689857483
CID:2659105
Update Time:2023-08-06
(1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol Chemical and Physical Properties
Names and Identifiers
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- (14β)-C(14a)-Homo-27-norgammacerane-3β,21α-diol
- beta-Serratanediol
- (1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016
- (1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol
-
- Inchi： 1S/C30H52O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h19-25,31-32H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,24+,25+,28+,29-,30+/m1/s1
- InChI Key： VPVFMIYLPVRZRT-LLAFXDFUSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@H]4CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@H]32)O)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 741
- Topological Polar Surface Area: 40.5
(1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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
18188-11-9 ((1S,3R,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-Heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-8,19-diol) Related Products
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