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(3beta,5beta,8xi,9xi)-5,14-dihydroxy-19-oxo-3-{[(trimethylammonio)acetyl]oxy}card-20(22)-enolide

Catalog ID
STL552781
SMILES O=C[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)OC(=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 C28H42NO7 MW 504.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42NO7/c1-25-9-6-21-22(28(25,34)12-8-20(25)18-13-23(31)35-16-18)7-11-27(33)14-19(5-10-26(21,27)17-30)36-24(32)15-29(2,3)4/h13,17,19-22,33-34H,5-12,14-16H2,1-4H3/q+1/t19-,20+,21?,22?,25+,26-,27-,28-/m0/s1
InChIKey
KFPMAYKBBLAZFX-PNQBCYOKSA-N
Synonyms

(2(((3~(S)5~(S)10~(S)13~(R)14~(S)17~(R))10formyl514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)oxy)2oxoethyl)trimethylazanium
(3beta5beta8xi9xi)514dihydroxy19oxo3(((trimethylammonio)acetyl)oxy)card20(22)enolide
135640854
2(((3S5S8R9S10S13R14S17R)10formyl514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)NNNtrimethyl2oxoethanaminiumbromide
InChI=1SC28H42NO7c125962122(28(2534)12820(25)181323(31)351618)71127(33)1419(51026(2127)1730)3624(32)1529(23)4h131719223334H5121416H214H3q+1t1920+21?22?25+262728m0s1
O=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC(=O)C(N+)(C)(C)C(Br)
ZINC000008789534
ZINC000253501737

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Available files

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