β-D-Galactopyranoside, (3β,5α,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-6-O-acetyl-β-D-glucopyranosyl-(1→4)-

CAS Registry Number®

226713-77-5
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CAS Name

β-D-Galactopyranoside, (3β,5α,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-6-O-acetyl-β-D-glucopyranosyl-(1→4)-

Molecular Formula

C53H86O24

Molecular Mass

1107.24

Cite this Page

β-D-Galactopyranoside, (3β,5α,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-6-O-acetyl-β-D-glucopyranosyl-(1→4)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=226713-77-5 (retrieved 2024-09-20) (CAS RN: 226713-77-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H86O24/c1-21-8-13-53(68-19-21)22(2)34-29(77-53)15-28-26-7-6-24-14-25(9-11-51(24,4)27(26)10-12-52(28,34)5)69-47-43(66)40(63)44(32(18-56)72-47)74-50-46(76-49-42(65)39(62)36(59)31(17-55)71-49)45(37(60)33(73-50)20-67-23(3)57)75-48-41(64)38(61)35(58)30(16-54)70-48/h21-22,24-50,54-56,58-66H,6-20H2,1-5H3/t21-,22-,24-,25-,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+/m0/s1

InChIKey

InChIKey=UMJXUWDTBAXFNN-BJUBRSQSSA-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](COC(C)=O)O7)[C@H](O)[C@H]6O)CC5)[H])[H])[H])[H])(O[C@@]%10([C@H]3C)CC[C@H](C)CO%10)[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(OCC(C)CC8)C(C)C76)C3)OC2CO)C(OC9OC(CO)C(O)C(O)C9O)C(OC%10OC(CO)C(O)C(O)C%10O)C1O)C

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,5α,25S)-spirostan-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-6-O-acetyl-β-D-glucopyranosyl-(1→4)-
  • Neomacrostemonoside D