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Xestoproxamine A, (rel)-

PropertiesImage
MNX_IDMNXM113976 Image of MNXM113976
referencechebi:67769
formulaC30H52N2
global charge0
mol weight440.76
InChIKeyMEZYUJANHMJTGP-HCBWJYQNSA-N
InChIInChI=1S/C30H52N2/c1-3-7-11-15-20-31-22-19-30-28(25-31)18-14-10-6-2-4-8-12-16-21-32-24-27(17-13-9-5-1)23-29(30)26-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-/t27-,28-,29+,30-/m0/s1
SMILESC1=C\CC[C@H]2C[C@@H]3CN(CCCCCC/C=C\CC[C@H]4CN(CCCCCC/1)CC[C@H]34)C2
MNX internals
InChI (mnx)InChI=1/C30H52N2/c1-3-7-11-15-20-31-22-19-30-28(25-31)18-14-10-6-2-4-8-12-16-21-32-24-27(17-13-9-5-1)23-29(30)26-32/h5-6,9-10,27-30H,1-4,7-8,11-26H2/b9-5-,10-6-/t27-,28-,29?,30-/m0/s1 Image of MNXM113976
SMILES (mnx)[CH2:1]1[CH2:3][CH2:7][CH2:11][CH2:15][CH2:20][N:31]2[CH2:22][CH2:19][C@H:30]3[C@@H:28]([CH2:18][CH2:14]/[CH:10]=[CH:6]\[CH2:2][CH2:4][CH2:8][CH2:12][CH2:16][CH2:21][N:32]4[CH2:24][C@@H:27]([CH2:17][CH2:13]/[CH:9]=[CH:5]\1)[CH2:23][CH:29]3[CH2:26]4)[CH2:25]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67769
chebi:67769
MEZYUJANHMJTGP-HCBWJYQNSA-N
Xestoproxamine A, (rel)-
rel-(8Z,12R,13S,23Z,27S,29S)-1,16-Diazatetracyclo[25.3.1.1(12,16).0(13,29)]dotriaconta-8,23-diene