| Properties | Image |
|---|
| MNX_ID | MNXM45075 |
 |
| reference | chebi:9644 |
| formula | C40H46N4O2 |
| global charge | 2 |
| mol weight | 614.834 |
| InChIKey | IIYHWTVUYIYKKG-QQRSFBQTSA-N |
| InChI | InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1 |
| SMILES | C[N@@+]12CC[C@@]34C5=C(C=CC=C5)N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C/C7=C/CO)C7=C(C=CC=C7)N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 |
MNX internals
| InChI (mnx) | InChI=1/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N@@+:43]12[CH2:15][CH2:13][C@@:39]34[C:31]5=[CH:7][CH:3]=[CH:5][CH:9]=[C:33]5[N:41]5/[CH:22]=[C:30]6/[C@H:28]7[CH2:20][C@H:36]8[C@@:40]9([CH2:14][CH2:16][N@@+:44]8([CH3:2])[CH2:24]/[C:26]7=[CH:12]/[CH2:18][OH:46])[C:32]7=[CH:8][CH:4]=[CH:6][CH:10]=[C:34]7[N:42](/[CH:21]=[C:29](/[C@@H:27]([CH2:19][C@@H:35]31)/[C:25](=[CH:11]\[CH2:17][OH:45])[CH2:23]2)[C@@H:37]45)[C@@H:38]69 |
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