| Properties | Image |
|---|
| MNX_ID | MNXM103347 |
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| reference | chebi:70427 |
| formula | C35H50N2O5 |
| global charge | 0 |
| mol weight | 578.794 |
| InChIKey | SQULXMOMDPJQNT-QCFSPYGNSA-N |
| InChI | InChI=1S/C35H50N2O5/c1-22(37(6)7)30-27(42-23(2)39)20-34(5)26-13-14-28-32(3,21-38)29(36-31(40)24-11-9-8-10-12-24)16-18-35(28,41)19-25(26)15-17-33(30,34)4/h8-12,15-16,18,22,26-30,38,41H,13-14,17,19-21H2,1-7H3,(H,36,40)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35-/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)C5=CC=CC=C5)C=C[C@]4(O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H50N2O5/c1-22(37(6)7)30-27(42-23(2)39)20-34(5)26-13-14-28-32(3,21-38)29(36-31(40)24-11-9-8-10-12-24)16-18-35(28,41)19-25(26)15-17-33(30,34)4/h8-12,15-16,18,22,26-30,38,41H,13-14,17,19-21H2,1-7H3,(H,36,40)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:22]([C@H:30]1[C@H:27]([O:42][C:23]([CH3:2])=[O:39])[CH2:20][C@@:34]2([CH3:5])[C@@H:26]3[CH2:13][CH2:14][C@H:28]4[C@:32]([CH3:3])([CH2:21][OH:38])[C@@H:29]([N:36]=[C:31]([C:24]5=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]5)[OH:40])[CH:16]=[CH:18][C@:35]4([OH:41])[CH2:19][C:25]3=[CH:15][CH2:17][C@:33]12[CH3:4])[N:37]([CH3:6])[CH3:7] |
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