Daniellic acid

CAS Registry Number®

1235-77-4

CAS Name

Daniellic acid

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

Daniellic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1235-77-4 (retrieved 2024-11-24) (CAS RN: 1235-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129.0-130.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1

InChIKey

InChIKey=ZQHJXKYYELWEOK-LCLWPZTBSA-N

SMILES

C[C@]12[C@@]([C@@](C(O)=O)(C)CCC1)(CCC(=C)[C@H]2CCC=3C=COC3)[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C)C(C(=C)CCC12)CCC3=COC=C3

Other Names for this Substance

  • 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, (1R,4aS,5R,8aS)-
  • 5β,9βH,10α-Labda-8(20),13(16),14-trien-18-oic acid, 15,16-epoxy-
  • 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, [1R-(1α,4aα,5α,8aβ)]-
  • Daniellic acid
  • (1R,4aS,5R,8aS)-5-[2-(3-Furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid

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Deleted or Replaced CAS Registry Numbers

25707-79-3

CAS INSIGHTSTM
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