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methyl (2S,4aS,6aS,6bR,13aS)-2,4a,6a,6b,9,9,13a-heptamethyl-14-oxo-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,13,13a,13b,14,15b-octadecahydro-1H-chryseno[1,2-f]indazole-2-carboxylate

Catalog ID
STL566066
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)Cc2cn[nH]c2C1(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 C32H46N2O3 MW 506.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N2O3/c1-27(2)23-9-10-32(7)24(30(23,5)16-19-18-33-34-25(19)27)22(35)15-20-21-17-29(4,26(36)37-8)12-11-28(21,3)13-14-31(20,32)6/h15,18,21,23-24H,9-14,16-17H2,1-8H3,(H,33,34)/t21?,23?,24?,28-,29+,30+,31-,32-/m1/s1
InChIKey
SIJVNGBTVXITIK-MKLZTHBUSA-N
Synonyms

(2S4aS6aS6bR13aS)methyl24a6a6b9913aheptamethyl14oxo2344a566a6b788a9101313a13b1415boctadecahydro1Hchryseno(12f)indazole2carboxylate
16396433
COC(=O)(C@@)1(C)CC(C@)2(C(C1)C1=CC(=O)C3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)Cc2cn(nH)c2C1(C)C)C
InChI=1SC32H46N2O3c127(2)2391032(7)24(30(235)161918333425(19)27)22(35)1520211729(426(36)378)121128(213)131431(2032)6h1518212324H9141617H218H3(H3334)t21?23?24?2829+30+3132m1s1
methyl(1R2S5S8S15S)1258152222heptamethyl13oxo1920diazahexacyclo(12110021105100152301721)pentacosa1117(21)18triene8carboxylate
methyl(2S4aS6aS6bR13aS)24a6a6b9913aheptamethyl14oxo2344a566a6b788a9101313a13b1415boctadecahydro1Hchryseno(12f)indazole2carboxylate
ZINC000012658361
ZINC000100743730

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Available files

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

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