| Properties | Image |
|---|
| MNX_ID | MNXM8181 |
 |
| reference | biggM:5adtststeroneglc |
| formula | C25H38O8 |
| global charge | 0 |
| mol weight | 466.571 |
| InChIKey | CLQMBSSRTBUNDV-HRPCFKRRSA-N |
| InChI | InChI=1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16+,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 |
| SMILES | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16+,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:24]12[CH2:9][CH2:7][C:13](=[O:26])[CH2:11][C@@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([O:32][C@H:23]4[C@H:20]([OH:29])[C@@H:18]([OH:27])[C@H:19]([OH:28])[C@@H:21]([C:22](=[O:30])[OH:31])[O:33]4)[C@@:25]3([CH3:2])[CH2:10][CH2:8][C@H:16]12 |
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