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(3alpha,5beta,7alpha,8xi,12alpha)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,7,12-trihydroxycholan-24-amide

Catalog ID
STL540422
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)Nc1sc2c(n1)CCC2)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 C30H46N2O4S MW 530.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O4S/c1-16(7-10-26(36)32-28-31-22-5-4-6-24(22)37-28)19-8-9-20-27-21(15-25(35)30(19,20)3)29(2)12-11-18(33)13-17(29)14-23(27)34/h16-21,23,25,27,33-35H,4-15H2,1-3H3,(H,31,32,36)/t16-,17+,18-,19-,20+,21+,23-,25+,27+,29+,30-/m1/s1
InChIKey
SATUUSNIOCAQFY-XETBLDCYSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)N(56dihydro4Hcyclopenta(d)(13)thiazol2yl)3712trihydroxycholan24amide
(4~(R))~(N)(56dihydro4~(H)cyclopenta(d)(13)thiazol2yl)4((3~(R)5~(S)7~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))3712trihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanamide
(R)N(56dihydro4Hcyclopenta(d)thiazol2yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentanamide
71754326
InChI=1SC30H46N2O4Sc116(71026(36)3228312254624(22)3728)1989202721(1525(35)30(1920)3)29(2)121118(33)1317(29)1423(27)34h16212325273335H415H213H3(H313236)t1617+181920+21+2325+27+29+30m1s1
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)Nc1sc2c(n1)CCC2)C)C)O)C
ZINC000079193255
ZINC79193255

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Available files

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