| Properties | Image |
|---|
| MNX_ID | MNXM102775 |
 |
| reference | chebi:69276 |
| formula | C22H36O5 |
| global charge | 0 |
| mol weight | 380.525 |
| InChIKey | GAPINCSXTLCIPV-BORIEPGUSA-N |
| InChI | InChI=1S/C22H36O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17-,18+,19-,20-,21-,22-/m0/s1 |
| SMILES | CC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C |
MNX internals
| InChI (mnx) | InChI=1/C22H36O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h15-18,23,25-26H,4-13H2,1-3H3/t15-,16+,17-,18+,19-,20-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14](=[O:24])[O:27][CH2:13][C@@:22]1([OH:26])[CH2:9][CH2:8][C@:21]23[CH2:11][C@H:16]1[CH2:10][C@@H:15]2[CH2:4][CH2:5][C@H:17]1[C@:19]([CH3:2])([CH2:12][OH:23])[C@H:18]([OH:25])[CH2:6][CH2:7][C@@:20]13[CH3:3] |
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