Benzeneacetic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester

CAS Registry Number®

64854-99-5

CAS Name

Benzeneacetic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester

Molecular Formula

C35H44O9

Molecular Mass

608.72

Cite this Page

Benzeneacetic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64854-99-5 (retrieved 2024-12-22) (CAS RN: 64854-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3

InChIKey

InChIKey=RWBRLONUEAWHRE-UHFFFAOYSA-N

SMILES

O(C(CC1=CC=CC=C1)=O)C23C(C2(COC(C(CC)C)=O)C)C4C(O)(C(C)C3)C5C(O)(CC(COC(C)=O)=C4)C(=O)C(C)=C5

Canonical SMILES

O=C(OCC1=CC2C3C(OC(=O)CC=4C=CC=CC4)(CC(C)C2(O)C5C=C(C(=O)C5(O)C1)C)C3(C)COC(=O)C(C)CC)C

Other Names for this Substance

  • Benzeneacetic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-[(2-methyl-1-oxobutoxy)methyl]-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, benzeneacetic acid deriv.
  • Candletoxin A

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