(1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo[3.2.1]oct-3-en-2-one

CAS Registry Number®

149438-61-9

CAS Name

(1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo[3.2.1]oct-3-en-2-one

Molecular Formula

C23H28O6

Molecular Mass

400.46

Cite this Page

(1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo[3.2.1]oct-3-en-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149438-61-9 (retrieved 2024-11-22) (CAS RN: 149438-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O6/c1-7-8-16-12-23(28-6)13(2)19(20(21(16)25)22(23)29-14(3)24)15-9-10-17(26-4)18(11-15)27-5/h7,9-13,19-20,22H,1,8H2,2-6H3/t13-,19+,20-,22+,23+/m1/s1

InChIKey

InChIKey=TVDQUJSTRADHSU-WWDCKHPPSA-N

SMILES

O(C)[C@]12[C@@H](OC(C)=O)[C@]([C@@H]([C@H]1C)C3=CC(OC)=C(OC)C=C3)(C(=O)C(CC=C)=C2)[H]

Canonical SMILES

O=C(OC1C2C(=O)C(=CC1(OC)C(C)C2C3=CC=C(OC)C(OC)=C3)CC=C)C

Other Names for this Substance

  • Bicyclo[3.2.1]oct-3-en-2-one, 8-(acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)-, (1S,5R,6R,7R,8S)-
  • Bicyclo[3.2.1]oct-3-en-2-one, 8-(acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, [1S-(6-endo,7-exo,8-syn)]-
  • Bicyclo[3.2.1]oct-3-en-2-one, 8-(acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1S,5R,6R,7R,8S)-
  • (1S,5R,6R,7R,8S)-8-(Acetyloxy)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-(2-propen-1-yl)bicyclo[3.2.1]oct-3-en-2-one
  • Kadsurenin L