Rehmannioside D

CAS Registry Number®

81720-08-3
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CAS Name

Rehmannioside D

Molecular Formula

C27H42O20

Molecular Mass

686.61

Cite this Page

Rehmannioside D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81720-08-3 (retrieved 2024-07-06) (CAS RN: 81720-08-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=JQEFRKPLHFKTFL-SNQOEBIKSA-N

SMILES

O([C@]12[C@]([C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C1)(C(CO)=C[C@H]2O)[H])[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

OCC1=CC(O)C2(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C=COC(OC5OC(CO)C(O)C(O)C5O)C12

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4aS,5R,7aR)-1-(β-D-glucopyranosyloxy)-5,7a-dihydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4a(1H)-yl 2-O-β-D-glucopyranosyl-
  • β-D-Glucopyranoside, 1-(β-D-glucopyranosyloxy)-5,7a-dihydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4a(1H)-yl 2-O-β-D-glucopyranosyl-, [1S-(1α,4aα,5α,7aα)]-
  • (1S,4aS,5R,7aR)-1-(β-D-Glucopyranosyloxy)-5,7a-dihydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4a(1H)-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Rehmannioside D