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(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2-chlorobenzoate

Catalog ID
STL558165
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)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 C44H48ClNO13 MW 834.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H48ClNO13/c1-20-13-12-14-21(2)42(53)46-29-19-30(48)32-33(37(29)51)39(58-43(54)27-15-10-11-16-28(27)45)25(6)40-34(32)41(52)44(8,59-40)56-18-17-31(55-9)22(3)38(57-26(7)47)24(5)36(50)23(4)35(20)49/h10-20,22-24,31,35-36,38,49-50H,1-9H3,(H,46,53)/b
InChIKey
KCGHQGJRWNZURY-GERKEOMRSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)2chlorobenzoate
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl2chlorobenzoate
43915154
APHTHO(21B)FURAN5YL2CHLOROBENZOATE
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C
InChI=1SC44H48ClNO13c12013121421(2)42(53)46291930(48)3233(37(29)51)39(5843(54)271510111628(27)45)25(6)4034(32)41(52)44(85940)56181731(559)22(3)38(5726(7)47)24(5)36(50)23(4)35(20)49h10202224313536384950H19H3(H4653)b131218172114t2022+23+2431353638+44m0
ZINC000254905026

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Available files

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