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3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide

HCID 11680
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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
595-21-1
Standard SMILES
COC1C(O)[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)C(O)C[C@]5(O)C4CC[C@@H]3C2)OC(C)[C@@H]1O
InChIKey
CPFNIKYEDJFRAT-RHZHZRSRSA-N
Molecular formula
C30H46O9
Average molar mass
550.689 g/mol
Monoisotopic mass
550.31418305

Names & identifiers

Preferred name
3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
IUPAC
(8xi,9xi,17R)-3beta-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-14,16alpha-dihydroxy-5beta-card-20(22)-enolide

Database identifiers

CAS
595-21-1
PubChem CID
11680
DTXSID
DTXSID90974903

Related reactions

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