Cas no 595-17-5 (Olean-12-ene-3,16-diol,(3b,16b)-)
595-17-5 structure
Product Name:Olean-12-ene-3,16-diol,(3b,16b)-
Olean-12-ene-3,16-diol,(3b,16b)- Chemical and Physical Properties
Names and Identifiers
-
- Olean-12-ene-3,16-diol,(3b,16b)-
- 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
- maniladiol
- (3beta,16beta)-Olean-12-ene-3,16-diol
- olean-12-ene-3,16-diol, (3beta,16beta)-
- NSC-707002
- C21820
- NSC707002
- 595-17-5
- 3beta,16beta-Dihydroxyolean-12-ene
- Q27282898
- OLEAN-12-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-
- NCI60_038026
- SCHEMBL1050019
- (3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
- olean-12-ene-3beta,16beta-diol
- 3.BETA.,16.BETA.-DIHYDROXYOLEAN-12-ENE
- CHEMBL1977415
- C30H50O2
- UNII-LB0NCS29FD
- 16beta-hydroxy-beta-amyrin
- CHEBI:138945
- Olean-12-ene-3.beta.,16.beta.-diol
- LB0NCS29FD
- Olean-12-ene-3,16-diol
- DTXSID70974901
- (3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
- 3?216?±-Dihydroxy-olean-12-ene
- 3?±16?2-dihydroxyolean-12-ene
-
- Inchi： 1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1
- InChI Key： VLRYIIPJIVGFIV-QQSFYHFXSA-N
- SMILES： O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H](C(C)(C)[C@@H]4CC[C@]32C)O)[C@@H]2CC(C)(C)CC[C@@]21C
Computed Properties
- Exact Mass: 442.381
- Monoisotopic Mass: 442.381
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 825
- 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
- XLogP3: 7.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.05
- Boiling Point: 520.7°Cat760mmHg
- Flash Point: 210°C
- Refractive Index: 1.55
Olean-12-ene-3,16-diol,(3b,16b)- Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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