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N-(abieta-8,11,13-trien-18-yl)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide

Catalog ID
STL550580
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NC[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(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 C36H45NO6 MW 587.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45NO6/c1-21(2)23-8-11-27-25(17-23)10-13-31-35(4,14-7-15-36(27,31)5)20-37-32(40)19-26(24-9-12-28(38)30(18-24)42-6)34-33(41)29(39)16-22(3)43-34/h8-9,11-12,16-18,21,26,31,38,41H,7,10,13-15,19-20H2,1-6H3,(H,37,40)/t26?,31-,35-,36+/m0/s1
InChIKey
IXFPQPPKHPJERB-QJNOEBOLSA-N
Synonyms

~(N)(((1~(R)4~(a)~(S)10~(a)~(R))14~(a)dimethyl7propan2yl23491010~(a)hexahydrophenanthren1yl)methyl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)propanamide
132351808
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(((1R4aS10aR)7isopropyl14adimethyl12344a91010aoctahydrophenanthren1yl)methyl)propanamide
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NC(C@)1(C)CCC(C@)2((C@H)1CCc1c2ccc(c1)C(C)C)C
InChI=1SC36H45NO6c121(2)238112725(1723)10133135(41471536(2731)5)203732(40)1926(2491228(38)30(1824)426)3433(41)29(39)1622(3)4334h89111216182126313841H71013151920H216H3(H3740)t26?313536+m0s1
N(abieta81113trien18yl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000604404674
ZINC000824595871

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Available files

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

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