Cas no 150134-44-4 (Yibeinoside B)
Yibeinoside B structure
Product Name:Yibeinoside B
CAS No:150134-44-4
MF:C33H53NO7
MW:575.776430845261
CID:199186
PubChem ID:192465
Update Time:2024-02-29
Yibeinoside B Chemical and Physical Properties
Names and Identifiers
-
- Cevan-6-one, 3-(b-D-glucopyranosyloxy)-, (3b,5a,17b,22b)- (9CI)
- (3beta,5alpha,17beta)-6-oxocevan-3-yl beta-D-glucopyranoside
- Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-, (3beta,5alpha,17beta,22beta)-
- Yibeinoside B
- 6-Oxocevan-3-yl hexopyranoside
- (5alpha,17beta)-3beta-(beta-D-Glucopyranosyloxy)cevane-6-one
- CHEMBL4129894
- Sinpeinine-3-O-b-glucoside
- AKOS040750432
- BDBM50270726
- 150134-44-4
- (1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
- DTXSID60933880
-
- Inchi： 1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32+,33+/m0/s1
- InChI Key： BSSXNTZKMOAXRA-MXXYQIINSA-N
- SMILES： O=C1C[C@H]2[C@@H]3CC[C@H]4[C@@H](C)[C@@H]5CC[C@H](C)CN5C[C@H]4[C@@H]3C[C@@H]2[C@@]2(C)CC[C@@H](C[C@@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 575.382
- Monoisotopic Mass: 575.382
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 41
- Rotatable Bond Count: 3
- Complexity: 995
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120
- XLogP3: 3.7
Experimental Properties
- Density: 1.27
- Boiling Point: 714.5°Cat760mmHg
- Flash Point: 385.9°C
- Refractive Index: 1.599
Yibeinoside B Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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