(3β,16α,21β,22α)-21,22-Bis(acetyloxy)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranoside

CAS Registry Number®

1335200-69-5

CAS Name

(3β,16α,21β,22α)-21,22-Bis(acetyloxy)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranoside

Molecular Formula

C56H90O25

Molecular Mass

1163.30

Cite this Page

(3β,16α,21β,22α)-21,22-Bis(acetyloxy)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-69-5 (retrieved 2024-11-10) (CAS RN: 1335200-69-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H90O25/c1-23(59)74-44-45(75-24(2)60)55-22-73-56(31(55)16-50(44,3)4)15-11-30-52(7)13-12-33(51(5,6)29(52)10-14-53(30,8)54(56,9)17-32(55)62)79-48-42(81-47-41(70)38(67)35(64)26(18-57)76-47)37(66)28(21-72-48)78-49-43(39(68)36(65)27(19-58)77-49)80-46-40(69)34(63)25(61)20-71-46/h25-49,57-58,61-70H,10-22H2,1-9H3/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+,52+,53-,54+,55+,56+/m1/s1

InChIKey

InChIKey=HHORBZPRWXKSQO-QOPTYHMISA-N

SMILES

C[C@]12[C@@]3(C4([C@](CO3)([C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)C4)[C@H](O)C1)[H])CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[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](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@@H](CO)O9)CO7)C6(C)C)[H])[H]

Canonical SMILES

O=C(OC1C(OC(=O)C)C23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC9OCC(O)C(O)C9O)C(O)C7OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3CC1(C)C)C

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16α,21β,22α)-21,22-bis(acetyloxy)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-
  • (3β,16α,21β,22α)-21,22-Bis(acetyloxy)-13,28-epoxy-16-hydroxyoleanan-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranoside
  • Clethroidoside F
  • Heterogenoside F

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles