Grandiflorenic acid

CAS Registry Number®

22338-67-6

CAS Name

Grandiflorenic acid

Molecular Formula

C20H28O2

Molecular Mass

300.44

Cite this Page

Grandiflorenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22338-67-6 (retrieved 2025-01-30) (CAS RN: 22338-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19-,20-/m1/s1

InChIKey

InChIKey=RJIPNPHMQGDUBW-RFGKEDTNSA-N

SMILES

C[C@]12C=3[C@]4(C[C@@](CC3)(C(=C)C4)[H])CC[C@@]1([C@@](C(O)=O)(C)CCC2)[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC4C(=C)CC3(CCC12)C4)C

Other Names for this Substance

  • Kaura-9(11),16-dien-18-oic acid, (4α)-
  • Kaura-9(11),16-dien-18-oic acid
  • (4α)-Kaura-9(11),16-dien-18-oic acid
  • Grandiflorenic acid
  • (-)-Kaur-9(11),16-dien-19-oic acid

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Deleted or Replaced CAS Registry Numbers

23838-14-4, 51956-36-6