Scillaren A

cas: 124-99-2 — see every product listed under this CAS number, including other names

Scillaren A (CAS 124-99-2) is a chemical reagent available from Chemat. Available pack sizes: 2,5mg, 1mg, 5mg, 10mg, Get quote. Offered by: TRC, Biosynth, MedChemExpress.

brandTRC
catalog numberTRC-S199963-2.5MG
cas124-99-2
size2,5mg
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Structural formula: {0} (CAS {1})

5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one (CAS 124-99-2) is a chemical compound with the molecular formula C36H52O13 and a molecular weight of 692.8 g/mol. IUPAC name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one. InChIKey: NXJOCELNFPGKIV-ARHXXGKOSA-N.

Identity
Molecular formulaC36H52O13
Molecular weight692.8 g/mol
IUPAC name5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
InChIKeyNXJOCELNFPGKIV-ARHXXGKOSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: SCILLAREN A, Transvaalin, Glucoproscillaridin A, Scillarenin 3-O-glucosylrhamnoside, Scillaglykosid A, Scillaglykosid A [German], Scillaren + rhamnose + glucose, Scillaren + rhamnose + glucose [German], SCILLAREN A [MI], 4-18-00-01659 (Beilstein Handbook Reference)
Isomers (same molecular formula)
3-[(1S,3R,7R,10R,11S,14S)-14-[(2R,3R,4S,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one C36H52O13

Also listed as

Scillaren A, >=90% (LC/MS-ELSD) Sigma-Aldrich CAS 124-99-2