| Properties | Image |
|---|
| MNX_ID | MNXM101712 |
 |
| reference | chebi:66702 |
| formula | C36H58O9 |
| global charge | 0 |
| mol weight | 634.851 |
| InChIKey | LAOCOVISLMUJNC-NORDHZMASA-N |
| InChI | InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1 |
| SMILES | COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:15][C@@H:20]2[C@@H:27]([C:31]([CH3:4])([CH3:5])[O:41][CH3:8])[O:45][C@:36]3([C@H:26]1[C@@:32]1([CH3:6])[CH2:13][CH2:14][C@@:35]45[CH2:17][C@@:34]46[CH2:12][CH2:11][C@H:23]([O:43][C@H:28]4[C@H:25]([OH:39])[C@@H:24]([OH:38])[C@@H:19]([OH:37])[CH2:16][O:42]4)[C:30]([CH3:2])([CH3:3])[C@@H:21]6[CH2:9][CH2:10][C@H:22]5[C@:33]1([CH3:7])[C@H:29]3[OH:40])[O:44]2 |
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