2,4-Octadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-[1aα,1bβ,4aβ,7aα,7bα,8α,9β(2Z,4E),9aα]]-

CAS Registry Number®

70028-76-1

CAS Name

2,4-Octadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-[1aα,1bβ,4aβ,7aα,7bα,8α,9β(2Z,4E),9aα]]-

Molecular Formula

C30H40O7

Molecular Mass

512.63

Cite this Page

2,4-Octadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-[1aα,1bβ,4aβ,7aα,7bα,8α,9β(2Z,4E),9aα]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70028-76-1 (retrieved 2024-11-22) (CAS RN: 70028-76-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1

InChIKey

InChIKey=ALKHEZOKTHCOBM-MGZHOKCZSA-N

SMILES

O(C(C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(/C=C\C=C\CCC)=O)[C@]4([C@](CC(CO)=C3)(C(=O)C(C)=C4)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C(C)C2(O)C3C=C(C(=O)C3CC(=CC2C4C1(OC(=O)C)C4(C)C)CO)C)C=CC=CCCC

Other Names for this Substance

  • 2,4-Octadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-[1aα,1bβ,4aβ,7aα,7bα,8α,9β(2Z,4E),9aα]]-
  • 1H-Cyclopropa[3,4]benz[1,2-e]azulene, 2,4-octadienoic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration