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Heyneanine Hydroxyindolenine
[CAS# 80151-98-0]

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CAS#: 80151-98-0
Product: Heyneanine Hydroxyindolenine
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Identification
Name Heyneanine Hydroxyindolenine
Synonyms Heyneaninehydroxyindolenine; Ibogamine-18-Carboxylic Acid, 16,17-Didehydro-9,17-Dihydro-9,20-Dihydroxy-, Methyl Ester, (4Alpha,9Beta,20S)-
Molecular Structure CAS#: 80151-98-0, Heyneanine Hydroxyindolenine
Molecular Formula C21H26N2O4
Molecular Weight 370.45
CAS Registry Number 80151-98-0
SMILES [C@@H]15N4C[C@@H](C[C@]1(C3=NC2=CC=CC=C2[C@]3(O)CC4)C(OC)=O)C[C@H]5[C@@H](O)C
InChI 1S/C21H26N2O4/c1-12(24)14-9-13-10-20(19(25)27-2)17(14)23(11-13)8-7-21(26)15-5-3-4-6-16(15)22-18(20)21/h3-6,12-14,17,24,26H,7-11H2,1-2H3/t12-,13+,14-,17-,20-,21+/m0/s1
InChIKey BPKMKKDJAWRIOB-ZOHLKMAYSA-N
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