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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

Catalog ID
STL552464
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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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 C38H50N2O7 MW 646.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H50N2O7/c1-25-10-8-14-29(41)13-5-3-4-11-27-22-33(42)36(37(44)35(27)38(45)47-25)31(26-16-18-30(46-2)19-17-26)23-34(43)39-24-28-12-9-21-40-20-7-6-15-32(28)40/h4,11,16-19,22,25,28,31-32,42,44H,3,5-10,12-15,20-21,23-24H2,1-2H3,(H,39,43)/b11-4+/t25
InChIKey
ZHHKZQOUVWRWPU-GHQGGYPQSA-N
Synonyms

~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
135640697
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC38H50N2O7c1251081429(41)1353411272233(42)36(37(44)35(27)38(45)4725)31(26161830(462)191726)2334(43)392428129214020761532(28)40h411161922252831324244H3510121520212324H212H3(H3943)b114+t252831?32+m0s1
ZINC001772493154
ZINC001772493155

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Available files

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