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(8xi,9xi,14xi,17xi)-14-hydroxy-16-[(trimethylammonio)acetyl]-3-{[(trimethylammonio)acetyl]oxy}card-20(22)-enolide

Catalog ID
STL553209
SMILES O=C1OCC(=C1)C1C(CC2([C@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)OC(=O)C[N+](C)(C)C)O)C(=O)C[N+](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 C33H54N2O6 MW 574.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H54N2O6/c1-31-13-11-23(41-29(38)19-35(6,7)8)16-22(31)9-10-26-25(31)12-14-32(2)30(21-15-28(37)40-20-21)24(17-33(26,32)39)27(36)18-34(3,4)5/h15,22-26,30,39H,9-14,16-20H2,1-8H3/q+2/t22?,23?,24?,25?,26?,30?,31-,32+,33?/m0/s1
InChIKey
URSFWTKYUPPADT-QCDCQHIFSA-N
Synonyms

(2((10~(S)13~(R))14hydroxy1013dimethyl17(5oxo2~(H)furan3yl)3(2(trimethylazaniumyl)acetyl)oxy1234567891112151617tetradecahydrocyclopenta(a)phenanthren16yl)2oxoethyl)trimethylazanium
(8xi9xi14xi17xi)14hydroxy16((trimethylammonio)acetyl)3(((trimethylammonio)acetyl)oxy)card20(22)enolide
2(((3S8R9S10S13R14S17R)14hydroxy1013dimethyl17(5oxo25dihydrofuran3yl)16(2(trimethylammonio)acetyl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)NNNtrimethyl2oxoethanaminiumbromide
44663005
InChI=1SC33H54N2O6c131131123(4129(38)1935(67)8)1622(31)9102625(31)121432(2)30(211528(37)402021)24(1733(2632)39)27(36)1834(34)5h1522263039H9141620H218H3q+2t22?23?24?25?26?30?3132+33?m0s1
O=C1OCC(=C1)(C@H)1C(C(C@)2((C@)1(C)CC(C@H)1(C@H)2CCC2(C@)1(C)CC(C@@H)(C2)OC(=O)C(N+)(C)(C)C)O)C(=O)C(N+)(C)(C)C(Br)(Br)
ZINC000253506465
ZINC000253506479

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Available files

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