Tisocalcitate

cas: 156965-06-9 — see every product listed under this CAS number, including other names

Tisocalcitate (CAS 156965-06-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberGGA96506-1mg
cas156965-06-9
size1mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
Biosynth 1mg price on request
MedChemExpress Get quote price on request

properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate (CAS 156965-06-9) is a chemical compound with the molecular formula C31H48O5 and a molecular weight of 500.7 g/mol. IUPAC name: propan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate. InChIKey: AUMBXYDXKLLKEK-BGMQPCSBSA-N.

Identity
Molecular formulaC31H48O5
Molecular weight500.7 g/mol
IUPAC namepropan-2-yl (E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-hydroxy-2,2-dimethylhept-4-enoate
InChIKeyAUMBXYDXKLLKEK-BGMQPCSBSA-N
SMILESC[C@H](/C=C/[C@H](C(C)(C)C(=O)OC(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Tisocalcitate, Tisocalcitate [USAN:INN], Tisocalcitate [INN], Tisocalcitato, TISOCALCITATE [USAN], tisocalcitatum, Tissocalcitol, Tisocalcitate (INN/USAN), orb3181646
Isomers (same molecular formula)
(2Z)-2-[(3R,4S,5S,8S,9S,10S,13R,14S,16R)-16-acetyloxy-3-hydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid C31H48O5
4-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-4-oxobutanoic acid C31H48O5
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid C31H48O5
methyl (1R,2R,4S,4aR,6aR,6aS,6bR,8aR,9R,12aR,14bS)-4-hydroxy-9-(hydroxymethyl)-1,4a,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate C31H48O5