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(2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

HCID 177842829
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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
76020-77-4
Standard SMILES
C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
MWEHQOJAQKGFMP-ZCMHAIEESA-N
Molecular formula
C34H52O8
Average molar mass
588.782 g/mol
Monoisotopic mass
588.36621862

Names & identifiers

Preferred name
(2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Database identifiers

CAS
76020-77-4
PubChem CID
177842829
DTXSID
DTXSID001365162

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Compound notes

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