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Reference substances

Reference substances

IUPAC name:
(6R,7R,14S)-7-[(2S)-2-hydroxy-3,3-dimethylbut-2-yl]-6,7,8,14-tetrahydro-6,14-ethano-17-northebaine

Inventory

CAS number:
16614-59-8
Synonyms
Names:
Identifier:
EC number
605-428-7
Identifier:
common name
7a-(2-hydroxy- 3,3-dimethyl-2-butyl)-6, 14-endo-ethano-6,7 ,8, 14-tetrahydronorthebaine
Identifier:
common name
Buprenorphine hydrochloride stage-4 (BPR-4)
6,14-Ethenomorphinan-7-methanol, α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-, (αS,5α,7α)-

Molecular and structural information

Molecular formula:
C26H37NO4
Molecular weight:
ca. 427.58
SMILES notation:
C[C@@]([C@H]1CC23CC[C@]1(C4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)OC)O4)OC)(C(C)(C)C)O
InChl:
InChI=1S/C26H37NO4/c1-22(2,3)23(4,28)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27-18(24)13-15-7-8-16(29-5)20(31-21)19(15)25/h7-8,17-18,21,27-28H,9-14H2,1-6H3
Structural formula:
Chemical structure

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