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ambiguine H

PropertiesImage
MNX_IDMNXM1100471 Image of MNXM1100471
referencechebi:229756
formulaC26H33N2
global charge1
mol weight373.564
InChIKeyKQWAKTWJWYLNME-CSOFANMDSA-N
InChIInChI=1S/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1
SMILESC#[N+][C@@H]1[C@@H]2C3=C(C(C)(C)C=C)NC4=C3C(=CC=C4)C(C)(C)[C@H]2CC[C@]1(C)C=C
MNX internals
InChI (mnx)InChI=1/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1 Image of MNXM1100471
SMILES (mnx)[CH2:1]=[CH:9][C:24]([CH3:3])([CH3:4])[C:22]1=[C:21]2[C:19]3=[C:16]([CH:12]=[CH:11][CH:13]=[C:18]3[NH:28]1)[C:25]([CH3:5])([CH3:6])[C@H:17]1[CH2:14][CH2:15][C@:26]([CH3:7])([CH:10]=[CH2:2])[C@H:23]([N+:27]#[CH:8])[C@@H:20]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:229756
chebi:229756
KQWAKTWJWYLNME-CSOFANMDSA-N 		ambiguine H
(+)-ambiguine H(1+)
(6aS,9R,10R,10aS)-9-ethenyl-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl)-N-methylidyne-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indol-10-aminium
ambiguine H cation
ambiguine H(1+)

seed.compound:cpd32102
seedM:cpd32102
KQWAKTWJWYLNME-CSOFANMDSA-N 		ambiguine H

seedM:M_cpd32102 		secondary/obsolete/fantasy identifier