Seocalcitol

CAS Registry Number®

134404-52-7

CAS Name

Seocalcitol

Molecular Formula

C30H46O3

Molecular Mass

454.68

Cite this Page

Seocalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134404-52-7 (retrieved 2024-11-22) (CAS RN: 134404-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1

InChIKey

InChIKey=LVLLALCJVJNGQQ-SEODYNFXSA-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](/C=C/C=C/C(CC)(CC)O)C)[H])[H]

Canonical SMILES

OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C=CC=CC(O)(CC)CC)C)CC(O)C1

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadien-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 1,3-Cyclohexanediol, 5-[[1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, [1R-[1α(1R*,2E,4E),3aβ,4E(1R*,3S*,5Z),7aα]]-
  • 1,3-Cyclohexanediol, 5-[(2E)-[(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4E)-6-Ethyl-6-hydroxy-1-methyl-2,4-octadien-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • EB 1089

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration