Nigranoic acid

CAS Registry Number®

39111-07-4

CAS Name

Nigranoic acid

Molecular Formula

C30H46O4

Molecular Mass

470.68

Cite this Page

Nigranoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39111-07-4 (retrieved 2024-11-28) (CAS RN: 39111-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1

InChIKey

InChIKey=NJFOSFIPGRXARF-BRTULJEKSA-N

SMILES

C(CC(O)=O)[C@]12[C@]3([C@]([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CC/C=C(\C(O)=O)/C)C)(CC4)[H])(CC[C@H]1C(C)=C)[H])C2

Canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC(C(=C)C)C4(CCC(=O)O)CC34CCC12C)C

Other Names for this Substance

  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4Z)-5-carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-
  • 9,19-Cyclo-3,4-secolanosta-4(28),24-diene-3,26-dioic acid, (24Z)-
  • 1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4Z)-5-carboxy-1-methyl-4-hexenyl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-, (3S,3aR,4aS,6aR,7R,9aS,9bS)-
  • (3S,3aR,4aS,6aR,7R,9aS,9bS)-7-[(1R,4Z)-5-Carboxy-1-methyl-4-hexen-1-yl]decahydro-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid
  • Nigranoic acid

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