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N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-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-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551916
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC1COc2c(O1)cccc2

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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 C39H45NO11 MW 703.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45NO11/c1-23-11-10-14-26(41)13-7-5-6-12-24-17-29(42)36(37(44)35(24)39(45)50-23)28(25-18-32(46-2)38(48-4)33(19-25)47-3)20-34(43)40-21-27-22-49-30-15-8-9-16-31(30)51-27/h6,8-9,12,15-19,23,27-28,42,44H,5,7,10-11,13-14,20-22H2,1-4H3,(H,40,43)/b12
InChIKey
YIGDJMYFDBESRV-SAWQPURPSA-N
Synonyms

~(N)(23dihydro14benzodioxin3ylmethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640238
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC1COc2c(O1)cccc2
InChI=1SC39H45NO11c12311101426(41)1375612241729(42)36(37(44)35(24)39(45)5023)28(251832(462)38(484)33(1925)473)2034(43)40212722493015891631(30)5127h6891215192327284244H57101113142022H214H3(H4043)b126+t2327?28?m0s1
N((23dihydrobenzo(b)(14)dioxin2yl)methyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(23dihydro14benzodioxin2ylmethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139002
ZINC001547139005

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Available files

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