(3β,16α)-16,28-Dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside

CAS Registry Number®

1335200-64-0

CAS Name

(3β,16α)-16,28-Dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside

Molecular Formula

C47H78O17

Molecular Mass

915.11

Cite this Page

(3β,16α)-16,28-Dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-64-0 (retrieved 2024-11-22) (CAS RN: 1335200-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H78O17/c1-42(2)14-15-47(21-50)23(16-42)22-8-9-28-44(5)12-11-30(43(3,4)27(44)10-13-45(28,6)46(22,7)17-29(47)51)63-41-38(64-40-37(58)35(56)32(53)25(19-49)61-40)33(54)26(20-59-41)62-39-36(57)34(55)31(52)24(18-48)60-39/h8,23-41,48-58H,9-21H2,1-7H3/t23-,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=KDMNJNSCPQVDIN-JYBDQZIRSA-N

SMILES

C[C@]12C([C@]3([C@@](CO)([C@H](O)C1)CCC(C)(C)C3)[H])=CC[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]

Canonical SMILES

OCC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CO)C(O)CC65C)C3(C)C)C(OC8OC(CO)C(O)C(O)C8O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16α)-16,28-dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
  • (3β,16α)-16,28-Dihydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranoside
  • Clethroidoside A

CAS INSIGHTSTM
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