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(3alpha,5beta,7alpha,8xi,12alpha)-24-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,7,12-trihydroxycholan-24-one

Catalog ID
STL538352
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)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 C35H53NO6 MW 583.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H53NO6/c1-20(6-9-32(40)36-13-11-21-14-29(41-4)30(42-5)15-22(21)19-36)25-7-8-26-33-27(18-31(39)35(25,26)3)34(2)12-10-24(37)16-23(34)17-28(33)38/h14-15,20,23-28,31,33,37-39H,6-13,16-19H2,1-5H3/t20-,23+,24-,25-,26+,27+,28-,31+,33+,34+,35-/m1/s1
InChIKey
RQRLFZPEEKXZDR-BKSJSOHUSA-N
Synonyms

(3alpha5beta7alpha8xi12alpha)24(67dimethoxy34dihydroisoquinolin2(1H)yl)3712trihydroxycholan24one
(4~(R))1(67dimethoxy34dihydro1~(H)isoquinolin2yl)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)pentan1one
(R)1(67dimethoxy34dihydroisoquinolin2(1H)yl)4((3R5S7R8R9S10S12S13R14S17R)3712trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)pentan1one
71691943
COc1cc2CN(CCc2cc1OC)C(=O)CC(C@H)((C@H)1CC(C@@H)2(C@)1(C)(C@@H)(O)C(C@H)1(C@H)2(C@H)(O)C(C@H)2(C@)1(C)CC(C@H)(C2)O)C
InChI=1SC35H53NO6c120(6932(40)361311211429(414)30(425)1522(21)1936)2578263327(1831(39)35(2526)3)34(2)121024(37)1623(34)1728(33)38h141520232831333739H6131619H215H3t2023+242526+27+2831+33+34+35m1s1
ZINC000079188241
ZINC79188241

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Available files

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