(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid
CAS Registry Number®
139026-50-9
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CAS Name
(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acidMolecular Formula
C30H50O9Molecular Mass
554.71Cite this Page
(3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=139026-50-9 (retrieved ) (CAS RN: 139026-50-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21+,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1
InChIKey
InChIKey=QRLIJDGVRXVHQD-CYIRBYAUSA-N
SMILES
O[C@@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3)[H])(CC[C@@]5(C)[C@]2(CC[C@@]5([C@@H](CCC(O)=O)C)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-(β-D-glucopyranosyloxy)-7-hydroxy-, (3α,5β,7β)-
- (3α,5β,7β)-3-(β-D-Glucopyranosyloxy)-7-hydroxycholan-24-oic acid
- Ursodeoxycholic acid glucoside
