(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside

CAS Registry Number®

259795-17-0

CAS Name

(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside

Molecular Formula

C47H80O17

Molecular Mass

917.13

Cite this Page

(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=259795-17-0 (retrieved 2024-11-24) (CAS RN: 259795-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-41-38(58)35(55)33(53)26(19-48)60-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=IFSJMEMWKHAUOE-FDDSVCGKSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@]5([C@@](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](CO)O6)(CCC=C(C)C)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)(C)CCC=C(C)C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 2-O-α-L-arabinopyranosyl-
  • (3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside

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