[(5S,10S,13R,14S,16S,17R)-10-Formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-

CAS

11005-49-5

Catalog Number

ACM11005495

Category

Other Products

Molecular Weight

618.669 g/mol

Molecular Formula

C₃₂H₄₂O₁₂

MSDS COA Spec Sheet

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Specification

Synonyms

Scillicyanoside, Scillicyanosid [German], BRN 0075059, 5-beta,16-beta-Bufa-3,20,22-trienolide, 16-(acetyloxy)-5-(beta-D-glucopyranosyloxy)-14-hydroxy-19-oxo-, Scillicyanosid, AC1L194C, LS-45315, 4-18-00-03248 (Beilstein Handbook Reference), [(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate, 11005-49-5

IUPAC Name

[(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Canonical SMILES

CC(=O)OC1CC2(C3CCC4(C=CCCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C=O)OC6C(C(C(C(O6)CO)O)O)O)O

InChI Key

DDAAWSFCUWNNES-VZVRGTEASA-N

Boiling Point

798.9ºC at 760 mmHg

Flash Point

254.6ºC

Density

1.45g/cm³

Exact Mass

618.26800