| Properties | Image |
|---|
| MNX_ID | MNXM683690 |
 |
| reference | metacycM:CPD-18641 |
| formula | C33H55NO7 |
| global charge | 0 |
| mol weight | 577.803 |
| InChIKey | JDRMNHOIHYWSFN-JFUMCEBXSA-N |
| InChI | InChI=1S/C33H55NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h17-30,34-38H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C33H55NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h17-30,34-38H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:7][CH2:12][C@:33]2([C@@H:18]([CH3:2])[C@H:26]3[C@H:24]([CH2:14][C@H:23]4[C@@H:21]5[CH2:6][CH2:5][C@H:19]6[CH2:13][C@@H:20]([O:39][C@H:30]7[C@H:29]([OH:38])[C@@H:28]([OH:37])[C@@H:27]([OH:36])[C@@H:25]([CH2:16][OH:35])[O:40]7)[CH2:8][CH2:10][C@:31]6([CH3:3])[C@H:22]5[CH2:9][CH2:11][C@@:32]43[CH3:4])[O:41]2)[NH:34][CH2:15]1 |
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