(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside

CAS Registry Number®

290347-58-9
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CAS Name

(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside

Molecular Formula

C44H74O19

Molecular Mass

907.05

Cite this Page

(2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=290347-58-9 (retrieved 2024-09-20) (CAS RN: 290347-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H74O19/c1-18(16-57-39-36(54)33(51)32(50)28(14-45)60-39)7-10-44(56)19(2)30-27(63-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)59-41-37(55)34(52)38(29(15-46)61-41)62-40-35(53)31(49)25(48)17-58-40/h18-41,45-56H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42+,43+,44?/m1/s1

InChIKey

InChIKey=CQMKGWHJFNHDAO-VHJWZVFHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@H](O)[C@H]5O)[C@H](O)C4)[H])[H])[H])(C[C@]7([C@@]2([C@H](C)C(CC[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C)(O)O7)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC(C)CCC2(O)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,5α,25R)-26-(β-D-glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-β-D-xylopyranosyl-
  • (2α,3β,5α,25R)-26-(β-D-Glucopyranosyloxy)-2,22-dihydroxyfurostan-3-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Trigoneoside XIb