3β,4β,7α,12α-THBA

cas: 129099-70-3 — see every product listed under this CAS number, including other names

3β,4β,7α,12α-THBA (CAS 129099-70-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N15867-Get quote
cas129099-70-3
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Structural formula: {0} (CAS {1})

3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC24H40O6
Molecular weight424.6 g/mol
IUPAC name(4R)-4-[(3S,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyWGGZRKVUOFMQHM-VCELIZGUSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)C

Computed by PubChem (NCBI)

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