Nomilinic acid

CAS Registry Number®

35930-20-2

CAS Name

Nomilinic acid

Molecular Formula

C28H36O10

Molecular Mass

532.58

Cite this Page

Nomilinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35930-20-2 (retrieved 2025-01-31) (CAS RN: 35930-20-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O10/c1-14(29)36-19(12-20(31)32)26(5)16-7-9-25(4)21(15-8-10-35-13-15)37-23(33)22-28(25,38-22)27(16,6)18(30)11-17(26)24(2,3)34/h8,10,13,16-17,19,21-22,34H,7,9,11-12H2,1-6H3,(H,31,32)/t16-,17+,19-,21+,22-,25+,26-,27+,28-/m1/s1

InChIKey

InChIKey=ZIKZPLSIAVHITA-HNABCYPOSA-N

SMILES

C[C@]12[C@]34[C@](C)([C@@H](OC(=O)[C@]3(O4)[H])C=5C=COC5)CC[C@@]1([C@]([C@@H](CC(O)=O)OC(C)=O)(C)[C@H](C(C)(C)O)CC2=O)[H]

Canonical SMILES

O=C(O)CC(OC(=O)C)C1(C)C(CC(=O)C2(C)C1CCC3(C)C(OC(=O)C4OC423)C5=COC=C5)C(O)(C)C

Other Names for this Substance

  • Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid, β-(acetyloxy)-3-(3-furanyl)dodecahydro-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,9-dioxo-, (βR,3S,3aS,5aR,6R,7R,9aR,9bR,10aS)-
  • Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-
  • R,3S,3aS,5aR,6R,7R,9aR,9bR,10aS)-β-(Acetyloxy)-3-(3-furanyl)dodecahydro-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,9-dioxonaphth[2,1-c]oxireno[d]pyran-6-propanoic acid
  • Nomilinic acid