(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((1S,Z)-3-(2-((1R,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, 98%

cas: 57918-08-8 — see every product listed under this CAS number, including other names

(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((1S,Z)-3-(2-((1R,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, 98% (CAS 57918-08-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberACAJQL508
cas57918-08-8
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purity98%
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(3S,4S,5S,6R)-6-[(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 57918-08-8) is a chemical compound with the molecular formula C33H52O7 and a molecular weight of 560.8 g/mol. IUPAC name: (3S,4S,5S,6R)-6-[(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: HSMHKPFJPOTDCW-QNSBVHRBSA-N.

Identity
Molecular formulaC33H52O7
Molecular weight560.8 g/mol
IUPAC name(3S,4S,5S,6R)-6-[(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyHSMHKPFJPOTDCW-QNSBVHRBSA-N
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)C(=O)O)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Cholecalciferol Glucuronide, Vitamin D3 beta-D-Glucuronide, (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-yl
Isomers (same molecular formula)
(1R,2R,4S,8R,10R,14S,17S,18R)-14-hydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-12-en-11-one C33H52O7

Also listed as

Vitamin D3 Beta-D-Glucuronide, >90% TRC CAS 57918-08-8