Cas no 26121-80-2 ((2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid)
26121-80-2 structure
Product Name:(2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
CAS No:26121-80-2
MF:C30H46O8
MW:534.681450366974
CID:273140
Update Time:2024-02-29
(2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Olean-12-ene-23,28-dioicacid, 2,3,16,21-tetrahydroxy-, (2b,3b,4b,16b,21b)-
- (4R)-2β,3β,16β,21β-Tetrahydroxyolean-12-ene-24,28-dioic acid
- Olean-12-ene-24,28-dioicacid, 2b,3b,16b,21b-tetrahydroxy- (8CI)
- Platycogenic acid B
- (2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-
- (2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
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- Inchi： 1S/C30H46O8/c1-25(2)11-16-15-7-8-18-26(3)12-17(31)22(34)29(6,23(35)36)19(26)9-10-27(18,4)28(15,5)13-21(33)30(16,24(37)38)14-20(25)32/h7,16-22,31-34H,8-14H2,1-6H3,(H,35,36)(H,37,38)/t16-,17-,18+,19+,20-,21-,22-,26+,27+,28+,29+,30+/m0/s1
- InChI Key： DGNAEYFEAUVDAJ-NNZPUOCQSA-N
- SMILES： O[C@@H]1[C@@]2(C(=O)O)C[C@@H](C(C)(C)C[C@H]2C2=CC[C@@H]3[C@@]4(C)C[C@@H]([C@@H]([C@@](C(=O)O)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)C1)O)O)O
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 38
- Rotatable Bond Count: 2
- Complexity: 1080
- Topological Polar Surface Area: 156
(2S,3R,4R,4Ar,6aR,6bS,8S,8aR,10S,12aS,14aR,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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