Helvolinic acid

cas: 10072-61-4 — see every product listed under this CAS number, including other names

Helvolinic acid (CAS 10072-61-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas10072-61-4
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Structural formula: {0} (CAS {1})

(2E)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid (CAS 10072-61-4) is a chemical compound with the molecular formula C31H42O7 and a molecular weight of 526.7 g/mol. IUPAC name: (2E)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid. InChIKey: ZGQQEJUGWPCCHA-IDDAUYTMSA-N.

Identity
Molecular formulaC31H42O7
Molecular weight526.7 g/mol
IUPAC name(2E)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
InChIKeyZGQQEJUGWPCCHA-IDDAUYTMSA-N
SMILESC[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(\CCC=C(C)C)/C(=O)O)OC(=O)C)C)C)O

Computed by PubChem (NCBI)

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