Calcitriol lactone

CAS Registry Number®

81203-50-1
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CAS Name

Calcitriol lactone

Molecular Formula

C27H40O5

Molecular Mass

444.60

Cite this Page

Calcitriol lactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81203-50-1 (retrieved 2024-08-17) (CAS RN: 81203-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23+,24+,26-,27-/m1/s1

InChIKey

InChIKey=WMYIVSWWSRCZFA-RWVJFQLJSA-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@@H]4OC(=O)[C@](C)(O)C4)C)[H])[H]

Canonical SMILES

O=C1OC(CC(C)C2CCC3C(=CC=C4C(=C)C(O)CC(O)C4)CCCC32C)CC1(O)C

Other Names for this Substance

  • 2(3H)-Furanone, 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-hydroxy-3-methyl-, (3R,5S)-
  • 9,10-Secocholesta-5,7,10(19)-trien-26-oic acid, 1,3,23,25-tetrahydroxy-, γ-lactone, (1α,3β,5Z,7E,23S,25R)-
  • (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-hydroxy-3-methyl-2(3H)-furanone
  • Calcitriol lactone
  • (23S,25R)-1α,25-Dihydroxyvitamin D3 26,23-lactone