(1β,3β,22α,25S)-1-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl β-D-glucopyranoside

CAS Registry Number®

105798-62-7
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CAS Name

(1β,3β,22α,25S)-1-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl β-D-glucopyranoside

Molecular Formula

C44H72O18

Molecular Mass

889.03

Cite this Page

(1β,3β,22α,25S)-1-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105798-62-7 (retrieved 2024-09-20) (CAS RN: 105798-62-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3/t18-,19-,20-,22+,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+/m0/s1

InChIKey

InChIKey=HWYCRLFVQVFKPD-AYYJDYAASA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C)[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)CO5)C[C@H](O)CC4=CC3)[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)OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C6(C)C5CCC4(C)C3C2C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (1β,3β,22α,25S)-1-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl
  • (1β,3β,22α,25S)-1-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-3,22-dihydroxyfurost-5-en-26-yl β-D-glucopyranoside
  • Alliofuroside A