(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol

C124H125FN12O14 — CID 159468523

IUPAC(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol
SMILESCOc1c(O)ccc2c1CN1CCc3c([nH]c4cc(C)ccc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(C)cc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(F)cc34)[C@@H]1C2.COc1ccc2[nH]c3c(c2c1)CCN1Cc2c(ccc(O)c2OC)C[C@@H]31.COc1ccc2c3c([nH]c2c1)[C@@H]1Cc2ccc(O)c(OC)c2CN1CC3.c1ccc2c3c([nH]c2c1)[C@@H]1Cc2cc4c(cc2CN1CC3)OCO4
InChIInChI=1S/2C21H22N2O3.2C21H22N2O2.C20H19FN2O2.C20H18N2O2/c1-25-13-4-5-17-15(10-13)14-7-8-23-11-16-12(9-18(23)20(14)22-17)3-6-19(24)21(16)26-2;1-25-13-4-5-14-15-7-8-23-11-16-12(3-6-19(24)21(16)26-2)9-18(23)20(15)22-17(14)10-13;1-12-3-5-17-15(9-12)14-7-8-23-11-16-13(10-18(23)20(14)22-17)4-6-19(24)21(16)25-2;1-12-3-5-14-15-7-8-23-11-16-13(4-6-19(24)21(16)25-2)10-18(23)20(15)22-17(14)9-12;1-25-20-15-10-23-7-6-13-14-9-12(21)3-4-16(14)22-19(13)17(23)8-11(15)2-5-18(20)24;1-2-4-16-14(3-1)15-5-6-22-10-13-9-19-18(23-11-24-19)8-12(13)7-17(22)20(15)21-16/h2*3-6,10,18,22,24H,7-9,11H2,1-2H3;2*3-6,9,18,22,24H,7-8,10-11H2,1-2H3;2-5,9,17,22,24H,6-8,10H2,1H3;1-4,8-9,17,21H,5-7,10-11H2/t4*18-;2*17-/m000000/s1
InChIKeyLVMQTBQVEDAMQN-UWQQWPFHSA-N
MW2026.43 g/mol
LogP22.01
Rot. Bonds7

About (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol

(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol (PubChem CID 159468523) has the molecular formula C124H125FN12O14 and a molecular weight of 2026.43 g/mol. Its IUPAC name is (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol.

Molecular Properties

Compound Name(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol
PubChem CID159468523
Molecular FormulaC124H125FN12O14
Molecular Weight2026.43 g/mol
Exact Mass2024.94
IUPAC Name(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol
SMILESCOc1c(O)ccc2c1CN1CCc3c([nH]c4cc(C)ccc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(C)cc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(F)cc34)[C@@H]1C2.COc1ccc2[nH]c3c(c2c1)CCN1Cc2c(ccc(O)c2OC)C[C@@H]31.COc1ccc2c3c([nH]c2c1)[C@@H]1Cc2ccc(O)c(OC)c2CN1CC3.c1ccc2c3c([nH]c2c1)[C@@H]1Cc2cc4c(cc2CN1CC3)OCO4
InChIInChI=1S/2C21H22N2O3.2C21H22N2O2.C20H19FN2O2.C20H18N2O2/c1-25-13-4-5-17-15(10-13)14-7-8-23-11-16-12(9-18(23)20(14)22-17)3-6-19(24)21(16)26-2;1-25-13-4-5-14-15-7-8-23-11-16-12(3-6-19(24)21(16)26-2)9-18(23)20(15)22-17(14)10-13;1-12-3-5-17-15(9-12)14-7-8-23-11-16-13(10-18(23)20(14)22-17)4-6-19(24)21(16)25-2;1-12-3-5-14-15-7-8-23-11-16-13(4-6-19(24)21(16)25-2)10-18(23)20(15)22-17(14)9-12;1-25-20-15-10-23-7-6-13-14-9-12(21)3-4-16(14)22-19(13)17(23)8-11(15)2-5-18(20)24;1-2-4-16-14(3-1)15-5-6-22-10-13-9-19-18(23-11-24-19)8-12(13)7-17(22)20(15)21-16/h2*3-6,10,18,22,24H,7-9,11H2,1-2H3;2*3-6,9,18,22,24H,7-8,10-11H2,1-2H3;2-5,9,17,22,24H,6-8,10H2,1H3;1-4,8-9,17,21H,5-7,10-11H2/t4*18-;2*17-/m000000/s1
InChIKeyLVMQTBQVEDAMQN-UWQQWPFHSA-N
XLogP22.01
TPSA298.40 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002026.43
LogP ≤ 522.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol with MolForge

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Related Compounds

8,10-difluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3,8-dimethyl-10-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;10-methoxy-3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;5-methyl-13,15-dioxa-5,9-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3,8,9-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 167610338
8,9-difluoro-3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine;3,8-dimethyl-10-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;5-methyl-12,14-dioxa-5,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraene;3,8,9-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 167640305
6-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;6-[(3,4-dimethoxyphenyl)methyl]-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;2-N-(3,4-dimethoxyphenyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2,6-diamine;6-[(4-fluoro-3-methoxyphenyl)methyl]-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;3-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-inden-5-yl]-1H-indol-6-amine;3-(1-methylpiperidin-4-yl)-N-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]-1H-indol-6-amine
CID 157684838
4-[3-(aminomethyl)-9H-pyrido[3,4-b]indol-1-yl]-2-methoxyphenol;4-[3-(aminomethyl)-9H-pyrido[3,4-b]indol-1-yl]phenol;[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine;(1-naphthalen-1-yl-9H-pyrido[3,4-b]indol-3-yl)methanamine;(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanamine
CID 158340114
(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol
CID 159635351
5-[[4-[2-(1,3-Benzodioxol-5-yl)ethyl]piperazin-1-yl]methyl]-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole;3-[2-[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]piperazin-1-yl]ethyl]phenol;5-[[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole;5-[[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 160346605
(2R,8R)-14-(aminomethyl)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(2R,8R)-2-(1,3-benzodioxol-5-yl)-14-hydroxy-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-14-phenylmethoxy-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(4R,10R)-10-(1,3-benzodioxol-5-yl)-6-methyl-6,9,12-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),14,16,18,20-hexaene-5,8-dione
CID 160556304
2-(6,7-dimethoxy-3H-inden-1-yl)-N,N-dimethylethanamine;bis(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-8-ol);17-ethyl-8-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;N-[2-(7-hydroxy-3H-inden-1-yl)ethyl]acetamide
CID 160902261
7-(1-azabicyclo[2.2.2]octan-3-yl)-5H-[1,3]dioxolo[4,5-f]indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indole;[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-6-yl]methanol;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-1H-indole
CID 161011499
8-propan-2-yl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole;7-propan-2-yl-2,6-dihydro-1H-furo[3,2-e]indole;7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]indole;2-propan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
CID 161186301
CID 163415582
CID 163415582
2-methoxy-6-[2-(7-methoxy-3,4-dihydro-2H-carbazol-1-yl)ethenyl]phenol;2-methoxy-6-[2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;2-methyl-6-[2-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol;(14E,33E,52E)-9,19,28,38-tetramethoxy-47,57-dimethyl-2,12,21,31,40,50-hexazatridecacyclo[53.2.2.217,20.236,39.02,14.05,13.06,11.021,33.024,32.025,30.040,52.043,51.044,49]trihexaconta-1(57),5(13),6(11),7,9,14,17,19,24(32),25(30),26,28,33,36,38,43(51),44(49),45,47,52,55,58,60,62-tetracosaene-18,37,56-triol
CID 163748319

Frequently Asked Questions

What is the IUPAC name of (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol?
The IUPAC name of (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol (CID 159468523) is (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol.
What is the SMILES notation for (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol?
The canonical SMILES for (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol is COc1c(O)ccc2c1CN1CCc3c([nH]c4cc(C)ccc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(C)cc34)[C@@H]1C2.COc1c(O)ccc2c1CN1CCc3c([nH]c4ccc(F)cc34)[C@@H]1C2.COc1ccc2[nH]c3c(c2c1)CCN1Cc2c(ccc(O)c2OC)C[C@@H]31.COc1ccc2c3c([nH]c2c1)[C@@H]1Cc2ccc(O)c(OC)c2CN1CC3.c1ccc2c3c([nH]c2c1)[C@@H]1Cc2cc4c(cc2CN1CC3)OCO4.
What is the InChIKey of (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol?
The InChIKey is LVMQTBQVEDAMQN-UWQQWPFHSA-N. The full InChI is InChI=1S/2C21H22N2O3.2C21H22N2O2.C20H19FN2O2.C20H18N2O2/c1-25-13-4-5-17-15(10-13)14-7-8-23-11-16-12(9-18(23)20(14)22-17)3-6-19(24)21(16)26-2;1-25-13-4-5-14-15-7-8-23-11-16-12(3-6-19(24)21(16)26-2)9-18(23)20(15)22-17(14)10-13;1-12-3-5-17-15(9-12)14-7-8-23-11-16-13(10-18(23)20(14)22-17)4-6-19(24)21(16)25-2;1-12-3-5-14-15-7-8-23-11-16-13(4-6-19(24)21(16)25-2)10-18(23)20(15)22-17(14)9-12;1-25-20-15-10-23-7-6-13-14-9-12(21)3-4-16(14)22-19(13)17(23)8-11(15)2-5-18(20)24;1-2-4-16-14(3-1)15-5-6-22-10-13-9-19-18(23-11-24-19)8-12(13)7-17(22)20(15)21-16/h2*3-6,10,18,22,24H,7-9,11H2,1-2H3;2*3-6,9,18,22,24H,7-8,10-11H2,1-2H3;2-5,9,17,22,24H,6-8,10H2,1H3;1-4,8-9,17,21H,5-7,10-11H2/t4*18-;2*17-/m000000/s1.
What are the key properties of (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol?
(1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol has a molecular weight of 2026.43 g/mol, XLogP of 22.01, 7 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-7,16-dimethoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-18,20-dioxa-3,13-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-2(10),4,6,8,15,17(21),22-heptaene;(1S)-7-fluoro-16-methoxy-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-6-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol;(1S)-16-methoxy-7-methyl-1,3,11,12,14,21-hexahydroyohimban-17-ol is sourced from PubChem (CID 159468523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).