Odoratone

cas: 16962-90-6 — see every product listed under this CAS number, including other names

Odoratone (CAS 16962-90-6) is a chemical reagent available from Chemat. Available pack sizes: on request, 5mg, 10mg, 25mg, 50mg, Get quote. Offered by: Chemat Brand, Biosynth, MedChemExpress.

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catalog numberULT404008
cas16962-90-6
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Structural formula: {0} (CAS {1})

(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (CAS 16962-90-6) is a chemical compound with the molecular formula C30H48O4 and a molecular weight of 472.7 g/mol. IUPAC name: (5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one. InChIKey: QVEUBDDZMCFHNJ-BZXSMNKYSA-N.

Identity
Molecular formulaC30H48O4
Molecular weight472.7 g/mol
IUPAC name(5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2R,3R,4S)-3,4-dihydroxy-5,5-dimethyloxolan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
InChIKeyQVEUBDDZMCFHNJ-BZXSMNKYSA-N
SMILESC[C@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)[C@@H]5[C@@H]([C@@H](C(O5)(C)C)O)O

Computed by PubChem (NCBI)

Synonyms: ODORATONE, Dehydroodoratol, orb1681982, (13|_,14|_,17|_,20R)-22,25-Epoxy-23,24-dihydroxy-5|_-lanost-7-en-3-one, (13|A,14|A,17|A,20R)-22,25-Epoxy-23,24-dihydroxy-5|A-lanost-7-en-3-one, 13,14,17H-Lanost-7-en-3-one, 22,25-epoxy-23,24-dihydroxy- ; Dehydroodoratol
Isomers (same molecular formula)
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C30H48O4
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C30H48O4
(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one C30H48O4
(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol C30H48O4
(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid C30H48O4
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid C30H48O4
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid C30H48O4

Also listed as

(13α,14β,17α,20R)-22,25-Epoxy-23,24-dihydroxy-5α-lanost-7-en-3-one Chemat CAS 16962-90-6