(1S,7R,7aR)-7-(Acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexen-1-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-1H-indene-4-carboxylic acid

CAS Registry Number®

103847-17-2

CAS Name

(1S,7R,7aR)-7-(Acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexen-1-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-1H-indene-4-carboxylic acid

Molecular Formula

C31H42O9

Molecular Mass

558.66

Cite this Page

(1S,7R,7aR)-7-(Acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexen-1-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-1H-indene-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103847-17-2 (retrieved 2024-11-25) (CAS RN: 103847-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H42O9/c1-16(25(34)35)12-20(33)13-17(2)29(6)10-8-21-24(26(36)37)19(14-23(30(21,29)7)39-18(3)32)15-31-11-9-22(40-31)28(4,5)27(31)38/h8,12,17,20,22-23,33H,9-11,13-15H2,1-7H3,(H,34,35)(H,36,37)/b16-12+/t17-,20-,22+,23-,29+,30-,31+/m1/s1

InChIKey

InChIKey=RMMQUGYNWLQNHP-WPVFPYPFSA-N

SMILES

C[C@@]12C(C(C(O)=O)=C(C[C@]34O[C@](C(C)(C)C3=O)(CC4)[H])C[C@H]1OC(C)=O)=CC[C@]2([C@@H](C[C@@H](/C=C(/C(O)=O)\C)O)C)C

Canonical SMILES

O=C(O)C=1C2=CCC(C)(C(C)CC(O)C=C(C(=O)O)C)C2(C)C(OC(=O)C)CC1CC34OC(CC3)C(C4=O)(C)C

Other Names for this Substance

  • 1H-Indene-4-carboxylic acid, 7-(acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexen-1-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-, (1S,7R,7aR)-
  • 1H-Indene-4-carboxylic acid, 7-(acetyloxy)-1-(5-carboxy-3-hydroxy-1-methyl-4-hexenyl)-5-[(3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl)methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-, [1S-[1α(1S*,3R*,4E),5(1R*,4R*),7β,7aβ]]-
  • 1H-Indene-4-carboxylic acid, 7-(acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexenyl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-, (1S,7R,7aR)-
  • 7-Oxabicyclo[2.2.1]heptane, 1H-indene-4-carboxylic acid deriv.
  • (1S,7R,7aR)-7-(Acetyloxy)-1-[(1R,3S,4E)-5-carboxy-3-hydroxy-1-methyl-4-hexen-1-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]hept-1-yl]methyl]-2,6,7,7a-tetrahydro-1,7a-dimethyl-1H-indene-4-carboxylic acid

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