Chem
J-GLOBAL ID:200907049688394600   Nikkaji number:J126.789B

Ceanothenic acid

セアノテン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C29H42O4
Molecular formula furigana: C29-H42-O4
Molecular weight: 454.651
InChI: InChI=1S/C29H42O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h13-14,18-22H,1,7-12,15-16H2,2-6H3,(H,30,31)(H,32,33)/t18-,19+,20-,21+,22+,26-,27+,28-,29+/m0/s1
InChI key: CMDOQXSBVNWCEM-AKDRKZOISA-N
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CC[C@@H]4[C@@]5(C)C=CC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O)C(=O)O
Systematic name  (4):
  • 1-ノルルパ-2,20(29)-ジエン-27,28-二酸
  • A(1)-ノル-5α-ルパ-2,20(29)-ジエン-27,28-二酸
  • (1S,2R,5S,9S,10R,13R,14R,15R,18S)-2,6,6,9-テトラメチル-15-(プロパ-1-エン-2-イル)ペンタシクロ[11.7.0.02,10.05,9.014,18]イコサ-7-エン-1,18-ジカルボン酸
  • (1S,2R,5S,9S,10R,13R,14R,15R,18S)-2,6,6,9-tetramethyl-15-(prop-1-en-2-yl)pentacyclo[11.7.0.02,10.05,9.014,18]icos-7-ene-1,18-dicarboxylic acid
Other name (4):
  • セアノテン酸
  • Ceanothenic acid
  • 1-Norlupa-2,20(29)-diene-27,28-dioic acid
  • A(1)-Nor-5α-lupa-2,20(29)-diene-27,28-dioic acid
CAS registry number: 5948-16-3
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