15,16-Didehydrobuprenorphine

cas: 61577-04-6 — see every product listed under this CAS number, including other names

15,16-Didehydrobuprenorphine (CAS 61577-04-6) is a chemical reagent available from Chemat. Available pack sizes: 0,5mg, 2,5mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-D440933-0.5MG
cas61577-04-6
size0,5mg
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Structural formula: {0} (CAS {1})

(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-3,8(20),9,11-tetraen-11-ol (CAS 61577-04-6) is a chemical compound with the molecular formula C29H39NO4 and a molecular weight of 465.6 g/mol. IUPAC name: (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-3,8(20),9,11-tetraen-11-ol. InChIKey: IZSLIBHUFACYPA-IHFGGWKQSA-N.

Identity
Molecular formulaC29H39NO4
Molecular weight465.6 g/mol
IUPAC name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-3,8(20),9,11-tetraen-11-ol
InChIKeyIZSLIBHUFACYPA-IHFGGWKQSA-N
SMILESC[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25C=CN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: 15,16-Didehydrobuprenorphine
Isomers (same molecular formula)
2-(9H-fluoren-9-ylmethoxycarbonylamino)tetradecanoic acid C29H39NO4
(1R,2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol C29H39NO4