| Properties | Image |
|---|
| MNX_ID | MNXM13303 |
 |
| reference | metacycM:CPD-9213 |
| formula | C33H54NO6 |
| global charge | 1 |
| mol weight | 560.796 |
| InChIKey | IDGKMGZVTKHZDA-XTTMRYAPSA-O |
| InChI | InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/p+1/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-/m0/s1 |
| SMILES | C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)[NH+]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,33-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:5][CH2:8][C@@H:24]2[C@@H:18]([CH3:2])[C@H:27]3[C@H:25]([CH2:14][C@H:23]4[C@@H:21]5[CH2:7][CH:6]=[C:19]6[CH2:13][C@@H:20]([O:39][C@H:31]7[C@H:30]([OH:38])[C@@H:29]([OH:37])[C@@H:28]([OH:36])[C@@H:26]([CH2:16][OH:35])[O:40]7)[CH2:9][CH2:11][C@:32]6([CH3:3])[C@H:22]5[CH2:10][CH2:12][C@@:33]43[CH3:4])[N:34]2[CH2:15]1 |
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