(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

CAS Registry Number®

510-35-0
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CAS Name

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

Molecular Formula

C15H20O4

Molecular Mass

264.32

Cite this Page

(αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=510-35-0 (retrieved 2024-04-30) (CAS RN: 510-35-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    285 °C

  • Melting Point (1)

    170-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H20O4/c1-7-9(16)6-10-14(3)4-5-15(10,8(2)13(18)19)12(17)11(7)14/h7-8,10-11H,4-6H2,1-3H3,(H,18,19)/t7-,8-,10+,11+,14+,15+/m1/s1

InChIKey

InChIKey=UNPYYTKZOHYHMZ-DQMQVFGMSA-N

SMILES

[C@H](C(O)=O)(C)[C@@]12[C@@]3([C@@](C)([C@](C1=O)([C@H](C)C(=O)C3)[H])CC2)[H]

Canonical SMILES

O=C(O)C(C)C12C(=O)C3C(C(=O)CC1C3(C)CC2)C

Other Names for this Substance

  • 1,4-Methano-1H-indene-1-acetic acid, octahydro-α,3a,5-trimethyl-6,8-dioxo-, (αS,1R,3aS,4R,5S,7aS)-
  • Santonic acid
  • 1,4-Methanoindan-1-acetic acid, hexahydro-α,3a,5-trimethyl-6,8-dioxo-
  • 1,4-Methano-1H-indene-1-acetic acid, octahydro-α,3a,5-trimethyl-6,8-dioxo-, [1R-[1α,1(S*),3aβ,4α,5α,7aβ]]-
  • (αS,1R,3aS,4R,5S,7aS)-Octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid

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Deleted or Replaced CAS Registry Numbers

879278-62-3

CAS INSIGHTSTM
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