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



Compound number:
MolPort-046-773-767
IUPAC:
(1R,3S,5Z)-5-{2-[(4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-6-(²H₃)methyl-5-methyl(7,7,7-²H₃)hept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC traditional:
(1R,3S,5Z)-5-{2-[(4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-6-(²H₃)methyl-5-methyl(7,7,7-²H₃)hept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
SMILES:
[2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C([2H])([2H])[2H] |r,$2H;;2H;2H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2H;2H;2H$|
InChI key:
ZGLHBRQAEXKACO-GTOUFKGESA-N
Molecular formula:
C28H44O3
Molecular weight: 434.694
Solubility: not available

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Supplier Catalogue Data


Catalog: Building blocks Ships out: 4 business days Purity: n/a
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1 mg January 25, 2021 2515.50 USD
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More Information

Compound Identifiers
Compound number: MolPort-046-773-767

Names, Synonyms and 3rd Party Identifiers
1-alpha,25-Dihydroxy-Vitamin D2-(26,26,26,27,27,27-d6)

InChI
InChI: 1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24?,25?,26+,28-/m1/s1/i4D3,5D3
InChI key: ZGLHBRQAEXKACO-GTOUFKGESA-N

Calculated Properties
Molecular formula: C28H44O3
Molecular weight: 434.694

Other

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