Helveticoside hydrate

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Catalog Number
ACM630648
Product Name
Helveticoside hydrate
Structure
Structure
CAS
630-64-8
Category
Heterocyclic Organic Compound
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
Molecular Weight
534.64
Molecular Formula
C29H42O9
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
EC Number
211-140-9
Exact Mass
534.28300
Hazard Statements
T+
H-Bond Acceptor
9
H-Bond Donor
4
Packing Group
III
MSDS
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COA
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Spec Sheet
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