Urs-12-en-28-oic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β)-
CAS Registry Number®
169303-86-0
CAS Name
Urs-12-en-28-oic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β)-Molecular Formula
C41H66O12Molecular Mass
750.96Cite this Page
Urs-12-en-28-oic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=169303-86-0 (retrieved ) (CAS RN: 169303-86-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C41H66O12/c1-20-10-15-41(36(48)49)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)53-34-32(46)30(44)24(19-50-34)52-35-33(47)31(45)29(43)23(18-42)51-35/h8,20-21,23-35,42-47H,9-19H2,1-7H3,(H,48,49)/t20-,21+,23-,24-,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
InChIKey
InChIKey=HGUUEBLQXKUYIA-BEDYJSGQSA-N
SMILES
C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@H]3C)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CO6)C5(C)C)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Urs-12-en-28-oic acid, 3-[(4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β)-
