Cas no 81362-26-7 (24-Methylene-3β,12β,20-dammaranetriol)
81362-26-7 structure
Product Name:24-Methylene-3β,12β,20-dammaranetriol
CAS No:81362-26-7
MF:C31H54O3
MW:474.758670330048
CID:730470
Update Time:2023-11-18
24-Methylene-3β,12β,20-dammaranetriol Chemical and Physical Properties
Names and Identifiers
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- Dammarane-3,12,20-triol,24-methylene-, (3b,12b)- (9CI)
- 24-Methylene-3β,12β,20-dammaranetriol
- Alnuserrutriol
- CID 101307880
-
- Inchi： 1S/C31H54O3/c1-19(2)20(3)10-17-31(9,34)21-11-15-30(8)26(21)22(32)18-24-28(6)14-13-25(33)27(4,5)23(28)12-16-29(24,30)7/h19,21-26,32-34H,3,10-18H2,1-2,4-9H3/t21-,22+,23-,24+,25-,26-,28-,29+,30+,31-/m0/s1
- InChI Key： RXGASPGUGIJNNX-OOBFFZCBSA-N
- SMILES： O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(CCC(=C)C(C)C)O)[C@H]21)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 803
- Topological Polar Surface Area: 60.7
24-Methylene-3β,12β,20-dammaranetriol Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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