(2R,3R)-2,3-Dihydroxysuccinic acid - (5α)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one (1:1)

ChemSpider ID: 4576476
Molecular Formula: C₂₂H₂₇NO₉
Average mass: 449.451111 Da
Monoisotopic mass: 449.168579 Da
Systematic name

(2R,3R)-2,3-Dihydroxysuccinic acid - (5α)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one (1:1)
SMILES and InChIs

SMILES:

O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C4[C@@H]5Oc1c2c(ccc1OC)C[C@H]3N(CC[C@]25[C@H]3CC4)C Copied

Std. InChI:

InChI=1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,17-,18-;1-,2-/m01/s1 Copied

Std. InChIKey:

OJHZNMVJJKMFGX-BWCYBWMMSA-N Copied
Cite this record
CSID:4576476, http://www.chemspider.com/Chemical-Structure.4576476.html (accessed 21:59, May 25, 2012) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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