16-Anhydrodeacetylnerigoside

cas: 69549-58-2 — see every product listed under this CAS number, including other names

16-Anhydrodeacetylnerigoside (CAS 69549-58-2) is a chemical reagent available from Chemat. Available pack sizes: 5 mg, 1 mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N12542-5 mg
cas69549-58-2
size5 mg
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Available pack sizes

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MedChemExpress 5 mg 3551.92 Pln
MedChemExpress 1 mg 1489.98 Pln

properties

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purityno data
Structural formula: {0} (CAS {1})

3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (CAS 69549-58-2) is a chemical compound with the molecular formula C30H44O7 and a molecular weight of 516.7 g/mol. IUPAC name: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. InChIKey: GYHJUCGZRYCVFH-AHUCGMEWSA-N.

Identity
Molecular formulaC30H44O7
Molecular weight516.7 g/mol
IUPAC name3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyGYHJUCGZRYCVFH-AHUCGMEWSA-N
SMILESC[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC=C5C6=CC(=O)OC6)O)C)C)OC)O

Computed by PubChem (NCBI)

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