Chem
J-GLOBAL ID：200907077354950971   Nikkaji number：J490.723J

Calcitroic acid

カルシトロン酸
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： C23H34O4
Molecular formula furigana： C23-H34-O4
Molecular weight： 374.521
InChI： InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1
InChI key： MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
SMILES： C[C@H](CC(=O)O)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • (5Z,7E)-1α,3β-ジヒドロキシ-24-ノル-9,10-セココラ-5,7,10(19)-トリエン-23-酸
  • (3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-ジヒドロキシ-2-メチリデンシクロヘキシリデン]エチリデン}-7a-メチル-オクタヒドロ-1H-インデン-1-イル]ブタン酸
  • (3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butanoic acid
Other name (3)：
  • カルシトロン酸
  • Calcitroic acid
  • (5Z,7E)-1α,3β-Dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid
CAS registry number： 71204-89-2
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM