Ajugol

CAS Registry Number®

52949-83-4

CAS Name

Ajugol

Molecular Formula

C15H24O9

Molecular Mass

348.35

Cite this Page

Ajugol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52949-83-4 (retrieved 2025-01-03) (CAS RN: 52949-83-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1

InChIKey

InChIKey=VELYAQRXBJLJAK-XKKWFBPMSA-N

SMILES

O([C@H]1[C@]2([C@]([C@H](O)C[C@]2(C)O)(C=CO1)[H])[H])[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3

Canonical SMILES

OCC1OC(OC2OC=CC3C(O)CC(O)(C)C23)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl
  • β-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl, [1S-(1α,4aα,5α,7α,7aα)]-
  • (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl β-D-glucopyranoside
  • Ajugol

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