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(3alpha,5beta,12alpha)-3,12-dihydroxy-N-(pyridin-2-ylmethyl)cholan-24-amide

Catalog ID
STL538372
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCc1ccccn1)C)C)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 C30H46N2O3 MW 482.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O3/c1-19(7-12-28(35)32-18-21-6-4-5-15-31-21)24-10-11-25-23-9-8-20-16-22(33)13-14-29(20,2)26(23)17-27(34)30(24,25)3/h4-6,15,19-20,22-27,33-34H,7-14,16-18H2,1-3H3,(H,32,35)/t19-,20-,22-,23+,24-,25+,26+,27+,29+,30-/m1/s1
InChIKey
MQDDJIPAADLFAB-YAIFJCAJSA-N
Synonyms

(3alpha5beta12alpha)312dihydroxyN(pyridin2ylmethyl)cholan24amide
(4~(R))4((3~(R)5~(R)8~(R)9~(S)10~(S)12~(S)13~(R)14~(S)17~(R))312dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(pyridin2ylmethyl)pentanamide
(R)4((3R5R8R9S10S12S13R14S17R)312dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)N(pyridin2ylmethyl)pentanamide
71692286
InChI=1SC30H46N2O3c119(71228(35)321821645153121)241011252398201622(33)131429(202)26(23)1727(34)30(2425)3h4615192022273334H7141618H213H3(H3235)t19202223+2425+26+27+29+30m1s1
N((2PYRIDYL)METHYL)3ALPHA12ALPHADIHYDROXY5BETACHOLAN24AMIDE
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(C@H)(O)(C@)2((C@H)1CC(C@@H)2(C@@H)(CCC(=O)NCc1ccccn1)C)C)C
ZINC000072326094
ZINC72326094

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Available files

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