Cas no 60796-63-6 ((9xi,14xi)-stigmast-7-en-3-yl beta-D-glucopyranoside)
60796-63-6 structure
Product Name:(9xi,14xi)-stigmast-7-en-3-yl beta-D-glucopyranoside
CAS No:60796-63-6
MF:C35H60O6
MW:576.847311973572
CID:1622185
PubChem ID:181291
Update Time:2025-04-21
(9xi,14xi)-stigmast-7-en-3-yl beta-D-glucopyranoside Chemical and Physical Properties
Names and Identifiers
-
- (9xi,14xi)-stigmast-7-en-3-yl beta-D-glucopyranoside
- Stigmast-7-en-3-yl hexopyranoside
- DTXSID00976271
- 60796-63-6
- Stigma-7-en-3beta-glucoside
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- Inchi： 1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3/t21-,22-,23?,24?,26-,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1
- InChI Key： XWPUVGRUJWXYTP-MNLIYSCFSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C1CC[C@@]2(C)C(C1)CC=C1C2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CCC21
Computed Properties
- Exact Mass: 576.43898963g/mol
- Monoisotopic Mass: 576.43898963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 41
- Rotatable Bond Count: 9
- Complexity: 920
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 99.4?2
(9xi,14xi)-stigmast-7-en-3-yl beta-D-glucopyranoside Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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