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Vitas-M small molecule compound

(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxycholan-24-oic acid

Catalog ID
STK801993
SMILES O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H40O5 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-N
Synonyms
81-25-4
(3alpha5beta7alpha8xi12alpha)3712trihydroxycholan24oicacid
(4R)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoicacid
(R)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanoicacid
17B(1METHYL3CARBOXYPROPYL)ETIOCHOLANE3A7A12ATRIOL
17BETA(1METHYL3CARBOXYPROPYL)ETIOCHOLANE3ALPHA7ALPHA12ALPHATRIOL
3A7A12ATRIHYDROXY5ACHOLANICACIDCHOLANICACID
3A7A12ATRIHYDROXY5BCHOLAN24OATE
3A7A12ATRIHYDROXY5BCHOLAN24OICACID
3A7A12ATRIHYDROXY5BCHOLANATE
3A7A12ATRIHYDROXY5BCHOLANICACID
3A7A12ATRIHYDROXY5BCHOLANOATE
3A7A12ATRIHYDROXY5BCHOLANOICACID
3A7A12ATRIHYDROXY5CHOLANICACID
3A7A12ATRIHYDROXYBCHOLANATE
3A7A12ATRIHYDROXYBCHOLANICACID
3A7A12ATRIHYDROXYBETACHOLANATE
3A7A12ATRIHYDROXYBETACHOLANICACID
3A7A12ATRIHYDROXYCHOLANATE
3A7A12ATRIHYDROXYCHOLANICACID
3ALPHA12ALPHATRIHYDROXY5BETACHOLANICACID
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLAN24ICACID
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLAN24OICACID
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLANATE
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLANICACID
3ALPHA7ALPHA12ALPHATRIHYDROXY5BETACHOLANOICACID
3ALPHA7ALPHA12ALPHATRIHYDROXYBETACHOLANICACID
3ALPHA7ALPHA12ALPHATRIHYDROXYCHOLANICACID
3ALPHA7ALPHA12ALPHATRIHYDROXYCHOLANSAEURE
5BCHOLANICACID3A7A12ATRIOL
5BCHOLATE
5BCHOLICACID
5BETACHOLAN24OICACID3ALPHA7ALPHA12ALPHATRIHYDROXY
5BETACHOLAN24OICACID7ALPHA12ALPHATRIHYDROXY
5BETACHOLANICACID3ALPHA7ALPHA12ALPHATRIHYDROXY(7CI)
5BETACHOLANICACID3ALPHA7ALPHA12ALPHATRIOL5BETACHOLICACID
5BETACHOLICACID
81254
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
CHOLAN24OICACID712TRIHYDROXY(3ALPHA5BETA7ALPHA12ALPHA)
CHOLATE
CHOLICACID
CHOLICACID(8CI)
CHOLICACID(USAN)
CHOLICACID5BETA
InChI=1SC24H40O5c113(4721(28)29)1656172218(1220(27)24(1617)3)23(2)9815(25)1014(23)1119(22)26h1320222527H412H213H3(H2829)t1314+151617+18+1920+22+23+24m1s1
MFCD02940838
O(C@@H)1CC(C@)2((C@@H)(C1)C(C@H)((C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)O)C)C)O)C
ZINC000006858022
ZINC6858022

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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