Calcitroic acid

CAS Registry Number®

71204-89-2

CAS Name

Calcitroic acid

Molecular Formula

C23H34O4

Molecular Mass

374.51

Cite this Page

Calcitroic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71204-89-2 (retrieved 2024-11-21) (CAS RN: 71204-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=MBLYZRMZFUWLOZ-ZTIKAOTBSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CC(C)C1CCC2C(=CC=C3C(=C)C(O)CC(O)C3)CCCC21C

Other Names for this Substance

  • 1H-Indene-1-propanoic acid, 4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-, (βR,1R,3aS,4E,7aR)-
  • 24-Nor-9,10-secochola-5,7,10(19)-trien-23-oic acid, 1,3-dihydroxy-, (1α,3β,5Z,7E)-
  • (βR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-β,7a-dimethyl-1H-indene-1-propanoic acid
  • Calcitroic acid
  • 1α-Hydroxycalcioic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration