Helveticoside hydrate

CAS

630-64-8

Catalog Number

ACM630648

Category

Other Products

Molecular Weight

534.64

Molecular Formula

C₂₉H₄₂O₉

MSDS COA Spec Sheet

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Specification

Synonyms

card-20(22)-enolide,3-((2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy)-5,14-dihydr;deglucoerysimoside;erizimin;erysimotoxin;helvetikosid;HELVETICOSIDE;HELVETICOSIDE HYDRATE;ERYSIMIN

IUPAC Name

(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Canonical SMILES

CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O

InChI Key

QBILRDAMJUPXCX-AGAUEGNUSA-N

Boiling Point

735.611ºC at 760 mmHg

Melting Point

170ºC (dec.)

Flash Point

240.263ºC

Density

1.368g/cm³