| Properties | Image |
|---|
| MNX_ID | MNXM36975 |
 |
| reference | chebi:45352 |
| formula | C25H38O5 |
| global charge | 0 |
| mol weight | 418.574 |
| InChIKey | UVTGFMKBPVLATL-MFKGMXCUSA-N |
| InChI | InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17+,18+,19-,20+,21+,24+,25-/m1/s1 |
| SMILES | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17+,18+,19-,20+,21+,24+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]([C@H:19]1[CH2:6][CH2:7][C@H:20]2[C@@H:18]3[CH2:5][CH2:4][C@@H:16]4[CH2:14][C@@H:17]([O:30][C:23]([CH2:9][CH2:8][C:22](=[O:27])[OH:28])=[O:29])[CH2:10][CH2:12][C@:24]4([CH3:2])[C@H:21]3[CH2:11][CH2:13][C@:25]12[CH3:3])=[O:26] |
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