Cas no 60454-77-5 ((8xi,9xi,14xi,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside)
60454-77-5 structure
Product Name:(8xi,9xi,14xi,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
CAS No:60454-77-5
MF:C39H62O13
MW:738.901793956757
CID:1620358
PubChem ID:148877
Update Time:2025-04-21
(8xi,9xi,14xi,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside Chemical and Physical Properties
Names and Identifiers
-
- (8xi,9xi,14xi,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
- [(25R)-Spirost-5-en-3β-yl]4-O-β-D-glucopyranosyl-β-D-galactopyranoside
- Funkioside C
- Atroposide D
- beta-D-Galactopyranoside, (3-beta,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-
- 60454-77-5
- Capsicoside B3
- Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside
- DTXSID20975862
-
- Inchi： 1S/C39H62O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1
- InChI Key： OBVNUYXMOLOYPW-NSRPKCEFSA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 738.41904203g/mol
- Monoisotopic Mass: 738.41904203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 52
- Rotatable Bond Count: 6
- Complexity: 1330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 197?2
(8xi,9xi,14xi,25R)-spirost-5-en-3-yl 4-O-beta-D-glucopyranosyl-beta-D-galactopyranoside Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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