(3β,25R)-Spirost-5-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranoside

CAS Registry Number®

113576-38-8
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CAS Name

(3β,25R)-Spirost-5-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranoside

Molecular Formula

C45H72O17

Molecular Mass

885.04

Cite this Page

(3β,25R)-Spirost-5-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113576-38-8 (retrieved 2024-09-19) (CAS RN: 113576-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(54)34(51)39(29(17-47)59-41)61-40-36(53)33(50)38(21(3)56-40)60-42-35(52)32(49)31(48)28(16-46)58-42/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41-,42+,43+,44+,45-/m1/s1

InChIKey

InChIKey=YIINVROKKFPIQD-NANFPJQLSA-N

SMILES

C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](C)O7)[C@H](O)[C@H]6O)CC5)[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CO9)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2C)OC3C(O)C(O)C(OC4CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(C)CC9)C(C)C87)C5(C)CC4)OC3CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-
  • (3β,25R)-Spirost-5-en-3-yl O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→4)-β-D-glucopyranoside