Chemical Properties of Methylmonocrotaline

Methylmonocrotaline

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InChI
InChI=1S/C17H25NO6/c1-15(2)13(19)24-11-6-8-18-7-5-10(12(11)18)9-23-14(20)16(3,21)17(15,4)22/h5,11-12,21-22H,6-9H2,1-4H3/t11-,12?,16+,17-/m1/s1
InChI Key
NQHCYMOPENHUTC-XUTRHLIJSA-N
Formula
C17H25NO6
SMILES
CC1(C)C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23
Molecular Weight1
339.38
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Physical Properties

Property Value Unit Source
log10WS -1.50 Crippen Calculated Property
logPoct/wat -0.002 Crippen Calculated Property
McVol 250.110 ml/mol McGowan Calculated Property
Inp 2351.00 NIST

Similar Compounds

Heliosupine. Echihumiline. Echimidine. 7-acetyl-9-(2,3-dihydroxybutyryl) retronecine. 7-Tigloyl-9-dihydroxysenecioylretronecine. 7-Angeloyl-9-(2,3-dihydroxylbutyryl)heliotridine. 7-senecioylrinderine. 7-Angeloylechinatine. Monocrotaline. uplandicine. echiupinine (7-senecioylintermedine). acetylintermedine. 7-(2-Methylbutyryl)-9-(2,3-dihydroxybutyryl) retronecine. 7-tigloyllacopsamine. myoscorpine (7-tigloylintermedine).

Find more compounds similar to Methylmonocrotaline.

Sources

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