(9Z)-17-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-9-octadecenoic acid

CAS Registry Number®

328569-86-4

CAS Name

(9Z)-17-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-9-octadecenoic acid

Molecular Formula

C30H54O13

Molecular Mass

622.74

Cite this Page

(9Z)-17-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-9-octadecenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=328569-86-4 (retrieved 2024-11-24) (CAS RN: 328569-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H54O13/c1-19(15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(33)34)40-30-28(26(38)24(36)21(18-32)42-30)43-29-27(39)25(37)23(35)20(17-31)41-29/h2-3,19-21,23-32,35-39H,4-18H2,1H3,(H,33,34)/b3-2-/t19?,20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1

InChIKey

InChIKey=MRMIIYJPIRIFCV-QNFSESTQSA-N

SMILES

O([C@H]1[C@H](OC(CCCCCC/C=C\CCCCCCCC(O)=O)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(O)CCCCCCCC=CCCCCCCC(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C

Other Names for this Substance

  • 9-Octadecenoic acid, 17-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (9Z)-
  • (9Z)-17-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-9-octadecenoic acid

Deleted or Replaced CAS Registry Numbers

1370463-79-8, 2816814-73-8

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