Structure

Primulaverin

CAS
154-61-0
Catalog Number
ACM154610
Category
Other Products
Molecular Weight
476.4285
Molecular Formula
C20H28O13

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Specification

Synonyms
PRIMULAVERIN;methyl 5-methoxy-2-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)benzoate;PRIMULAVERIN(P);5-Methoxy-2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzoic acid methyl ester;PRIMIN(SH)
IUPAC Name
methyl 5-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
Canonical SMILES
COC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)C(=O)OC
InChI Key
CDWVFJJMYKSVHM-HSMQXHTESA-N
Boiling Point
741.1ºC at 760 mmHg
Flash Point
256.8ºC
Density
1.56 g/cm³
Exact Mass
476.15300
H-Bond Acceptor
13
H-Bond Donor
6
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