Chemical Properties of AJMALINE, M(HO-), AC

AJMALINE, M(HO-), AC

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InChI
InChI=1S/C26H32N2O6/c1-6-16-17-10-20-23-26(18-9-15(32-12(2)29)7-8-19(18)27(23)5)11-21(22(17)24(26)33-13(3)30)28(20)25(16)34-14(4)31/h7-9,16-17,20-25H,6,10-11H2,1-5H3/t16?,17?,20?,21?,22-,23?,24-,25-,26-/m0/s1
InChI Key
IQBHXEBPPOSIQT-AOSISCJSSA-N
Formula
C26H32N2O6
SMILES
CCC1C2CC3C4N(C)c5ccc(OC(C)=O)cc5C45CC(C2C5OC(C)=O)N3C1OC(C)=O
Molecular Weight1
468.54
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Physical Properties

Property Value Unit Source
log10WS -4.13 Crippen Calculated Property
logPoct/wat 2.621 Crippen Calculated Property
McVol 341.420 ml/mol McGowan Calculated Property
Inp 3100.00 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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Sources

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