Cas no 3464-63-9 (Voacangine Hydroxyindolenine)
Voacangine Hydroxyindolenine structure
Product Name:Voacangine Hydroxyindolenine
CAS No:3464-63-9
MF:C22H28N2O4
MW:384.468726158142
CID:919393
PubChem ID:328232
Update Time:2025-04-19
Voacangine Hydroxyindolenine Chemical and Physical Properties
Names and Identifiers
-
- Voacangine Hydroxyindolenine
- 9α-Hydroxy-9-hydro-16-dehydro-12-methoxyibogamine-18-carboxylic acid methyl ester
- 7-Hydroxy-1-dehydrovoacangine
- 9H-Voacangine, 9-hydroxy-
- 9-hydroxy-12-methoxy-16,17-didehydro-9H-ibogamine-18-carboxylic acid methyl ester
- AC1L726E
- NSC306220
- VOACANGINE-7-HYDROXYINDOLININE
- 7alpha-Hydroxyvoacangine indolenine
- Ibogamine-18-carboxylic acid,17-didehydro-9,17-dihydro-9-hydroxy-12-methoxy-, methyl ester, (9.alpha.)-
- NSC-306220
- 7alpha-Voacangine hydroxyindolenine
- 3464-63-9
- DTXSID20316736
- methyl (15S,17R)-17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraene-1-carboxylate
-
- Inchi： 1S/C22H28N2O4/c1-4-14-9-13-11-21(20(25)28-3)18(14)24(12-13)8-7-22(26)16-10-15(27-2)5-6-17(16)23-19(21)22/h5-6,10,13-14,18,26H,4,7-9,11-12H2,1-3H3/t13-,14+,18+,21+,22-/m1/s1
- InChI Key： AVRFPRAAVSCSSZ-RCJJNBIHSA-N
- SMILES： C1(=CC2[C@@]3(CCN4C[C@@H]5C[C@@H]([C@H]4[C@](C5)(C(OC)=O)C3=NC=2C=C1)CC)O)OC
Computed Properties
- Exact Mass: 384.20490738g/mol
- Monoisotopic Mass: 384.20490738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 696
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.4?2
- XLogP3: 1.154
Voacangine Hydroxyindolenine Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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