(4aR,5R,6R)-6-(β-D-Glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-2(3H)-naphthalenone

CAS Registry Number®

69809-29-6

CAS Name

(4aR,5R,6R)-6-(β-D-Glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-2(3H)-naphthalenone

Molecular Formula

C21H32O7

Molecular Mass

396.47

Cite this Page

(4aR,5R,6R)-6-(β-D-Glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-2(3H)-naphthalenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69809-29-6 (retrieved 2024-11-22) (CAS RN: 69809-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O7/c1-10(2)13-8-21(4)11(3)15(6-5-12(21)7-14(13)23)27-20-19(26)18(25)17(24)16(9-22)28-20/h7,11,15-20,22,24-26H,5-6,8-9H2,1-4H3/t11-,15+,16+,17+,18-,19+,20+,21+/m0/s1

InChIKey

InChIKey=AVZCSGMWWXMJEA-WKSUSQFPSA-N

SMILES

C[C@]12C(CC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1C)=CC(=O)C(=C(C)C)C2

Canonical SMILES

O=C1C=C2CCC(OC3OC(CO)C(O)C(O)C3O)C(C)C2(C)CC1=C(C)C

Other Names for this Substance

  • 2(3H)-Naphthalenone, 6-(β-D-glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4aR,5R,6R)-
  • 2(3H)-Naphthalenone, 6-(β-D-glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, [4aR-(4aα,5α,6β)]-
  • (4aR,5R,6R)-6-(β-D-Glucopyranosyloxy)-4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-2(3H)-naphthalenone
  • Isopetasoside