5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Catalog Number

ACM21256713

Product Name

5-[(3S,10R,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

CAS

21256-71-3

Category

Heterocyclic Organic Compound

Synonyms

Scillipheoside, Scilliphaosid [German], BRN 0071892, 3-beta-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxybufa-4,20,22-trienolide, Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-12-beta,14-dihydroxy-, Scilliphaosid, AC1L1JS7, LS-45319, 21256-71-3, 5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

IUPAC Name

5-[(3S,10R,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Molecular Weight

546.649 g/mol

Molecular Formula

C₃₀H₄₂O₉

Canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)O)C)O)O)O

InChI Key

ZBAPFMPUNXTWQQ-ZSBSFZBSSA-N

Exact Mass

546.28300

H-Bond Acceptor

9

H-Bond Donor

5

MSDS

COA

Spec Sheet