β-D-Glucopyranoside, (3β,6α,12β)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12,17-dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-

CAS Registry Number®

251101-59-4

CAS Name

β-D-Glucopyranoside, (3β,6α,12β)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12,17-dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-

Molecular Formula

C65H110O33

Molecular Mass

1419.55

Cite this Page

β-D-Glucopyranoside, (3β,6α,12β)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12,17-dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=251101-59-4 (retrieved 2024-11-24) (CAS RN: 251101-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C65H110O33/c1-24(2)11-10-13-64(9,98-59-51(97-58-50(85)43(78)38(73)30(20-67)93-58)45(80)40(75)32(95-59)23-88-54-47(82)41(76)35(70)25(3)90-54)65(86)16-15-62(7)52(65)26(68)17-33-61(6)14-12-34(60(4,5)53(61)28(18-63(33,62)8)91-55-46(81)36(71)27(69)21-87-55)96-57-49(84)44(79)39(74)31(94-57)22-89-56-48(83)42(77)37(72)29(19-66)92-56/h11,25-59,66-86H,10,12-23H2,1-9H3/t25-,26+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54+,55-,56+,57-,58-,59-,61+,62+,63+,64-,65+/m0/s1

InChIKey

InChIKey=SKEFDZGMYDGFOO-RTUNOUHISA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@]([C@@](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4)(CCC=C(C)C)C)(O)CC3)([C@H](O)C[C@@]1([C@]7(C)[C@@]([C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)CO8)C2)(C(C)(C)[C@@H](O[C@@H]9O[C@H](CO[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O)CC7)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC3CCC4(C)C5CC(O)C6C(O)(CCC6(C)C5(C)CC(OC7OCC(O)C(O)C7O)C4C3(C)C)C(OC8OC(COC9OC(C)C(O)C(O)C9O)C(O)C(O)C8OC%10OC(CO)C(O)C(O)C%10O)(C)CCC=C(C)C)C(O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12,17-dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-

CAS INSIGHTSTM
Hourglass and a clock