(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-12-oxooleanan-28-al

CAS Registry Number®

1335200-70-8

CAS Name

(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-12-oxooleanan-28-al

Molecular Formula

C47H76O18

Molecular Mass

929.10

Cite this Page

(3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-12-oxooleanan-28-al.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-70-8 (retrieved 2024-12-24) (CAS RN: 1335200-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H76O18/c1-42(2)12-13-47(20-50)21(15-42)30-22(51)14-27-44(5)10-9-29(43(3,4)26(44)8-11-45(27,6)46(30,7)16-28(47)52)64-41-38(65-40-37(59)35(57)32(54)24(18-49)62-40)33(55)25(19-60-41)63-39-36(58)34(56)31(53)23(17-48)61-39/h20-21,23-41,48-49,52-59H,8-19H2,1-7H3/t21-,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47+/m0/s1

InChIKey

InChIKey=GOTSIHVHBCEBJP-CBBBAJFRSA-N

SMILES

C[C@]12[C@@]([C@]3([C@@](C=O)([C@H](O)C1)CCC(C)(C)C3)[H])(C(=O)C[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)CO6)C5(C)C)[H])[H])[H]

Canonical SMILES

O=CC12CCC(C)(C)CC2C3C(=O)CC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Oleanan-28-al, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-12-oxo-, (3β,16α)-
  • (3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-12-oxooleanan-28-al
  • Clethroidoside G

CAS INSIGHTSTM
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