β-D-Glucopyranoside, (3β,6α,12β)-3,12,17-trihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl 2-O-β-D-glucopyranosyl-

CAS Registry Number®

251101-57-2

CAS Name

β-D-Glucopyranoside, (3β,6α,12β)-3,12,17-trihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl 2-O-β-D-glucopyranosyl-

Molecular Formula

C47H80O19

Molecular Mass

949.13

Cite this Page

β-D-Glucopyranoside, (3β,6α,12β)-3,12,17-trihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl 2-O-β-D-glucopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=251101-57-2 (retrieved 2024-12-24) (CAS RN: 251101-57-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H80O19/c1-21(2)10-9-12-46(8,66-41-36(33(57)31(55)26(19-49)64-41)65-40-35(59)32(56)30(54)25(18-48)63-40)47(60)15-14-44(6)37(47)22(50)16-27-43(5)13-11-28(52)42(3,4)38(43)24(17-45(27,44)7)62-39-34(58)29(53)23(51)20-61-39/h10,22-41,48-60H,9,11-20H2,1-8H3/t22-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,43-,44-,45-,46+,47-/m1/s1

InChIKey

InChIKey=CXXVAICRCFBOHJ-IWPZPDFUSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)C1)(C(C)(C)[C@@H](O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@]5([C@@](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6)(CCC=C(C)C)C)O)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC(C)(CCC=C(C)C)C3(O)CCC4(C)C3C(O)CC5C6(C)CCC(O)C(C)(C)C6C(OC7OCC(O)C(O)C7O)CC54C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,17-trihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl 2-O-β-D-glucopyranosyl-

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.