IUPAC Traditional

(3R,6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-(²H₃)methyl(1,1,1-²H₃)heptane-2,3-diol

Compound number MolPort-046-590-014
Molecular weight 422.683
InChI key FCKJYANJHNLEEP-YIZZJVCQSA-N
Molecular formula C27H44O3
DMSO Solubility Unknown
SMILES [2H]C([2H])([2H])C(O)([C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]

Warning!
This substance is controlled or otherwise illegal in the following legislations. Please make certain that it is acceptable for import into your Order's intended destination country.

Compliance Information

Global Community regime for the control of export, transfer, brokering and transit of dual-use items
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More Information

Compound identifiers

Compound number
MolPort-046-590-014
CAS number
1440957-55-0

Names, Synonyms and 3rd Party Identifiers

24(R),25 Dihydroxyvitamin D3 (26,26,26,27,27,27-d6)
Secalciferol-d6

InChI

InChI
1/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1/i3D3,4D3
InChI key
FCKJYANJHNLEEP-YIZZJVCQSA-N

Formula

Molecular formula
C27H44O3
Molecular weight
422.683

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