Chemical Properties of Isoipanguline B2

Isoipanguline B2

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InChI
InChI=1S/C22H29NO8/c1-13(30-14(2)24)22(3,28)21(27)29-12-15-8-10-23-11-9-18(19(15)23)31-20(26)16-6-4-5-7-17(16)25/h4-7,13,15,18-19,25,28H,8-12H2,1-3H3/t13-,15-,18-,19?,22+/m0/s1
InChI Key
GCEGBPGJRGEBFU-JOPYFQBDSA-N
Formula
C22H29NO8
SMILES
CC(=O)OC(C)C(C)(O)C(=O)OCC1CCN2CCC(OC(=O)c3ccccc3O)C12
Molecular Weight1
435.47
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Physical Properties

Property Value Unit Source
log10WS -2.68 Crippen Calculated Property
logPoct/wat 1.258 Crippen Calculated Property
McVol 319.400 ml/mol McGowan Calculated Property
Inp [2837.00; 2837.00]   Show Hide
Inp 2837.00 NIST
Inp 2837.00 NIST
Inp 2837.00 NIST

Similar Compounds

Ipanguline B2. Ipanguline B3. Isoipanguline B1. Ipanguline B1. Ipanguline A3. Isoipanguline A3. Ipanguline A2. Ipanguline A4. Isoipanguline A2. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Brucine. TCN. QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ethylmorphine, trimethylsilyl ether.

Find more compounds similar to Isoipanguline B2.

Sources

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