| Properties | Image |
|---|
| MNX_ID | MNXM105571 |
 |
| reference | chebi:70340 |
| formula | C28H44O7 |
| global charge | 0 |
| mol weight | 492.653 |
| InChIKey | LGCBXJHPKWYGGG-ZEOQMOKSSA-N |
| InChI | InChI=1S/C28H44O7/c1-7-9-23(31)33-15-18(5)19-11-10-16(3)24-22-14-17(4)21(30)12-13-28(6,26(34-22)25(19)24)35-27(32)20(29)8-2/h10,18-22,24-26,29-30H,4,7-9,11-15H2,1-3,5-6H3/t18-,19+,20+,21-,22+,24+,25+,26+,28+/m0/s1 |
| SMILES | C=C1C[C@H]2O[C@H]([C@@H]3[C@@H]([C@@H](C)COC(=O)CCC)CC=C(C)[C@@H]32)[C@](C)(OC(=O)[C@H](O)CC)CC[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H44O7/c1-7-9-23(31)33-15-18(5)19-11-10-16(3)24-22-14-17(4)21(30)12-13-28(6,26(34-22)25(19)24)35-27(32)20(29)8-2/h10,18-22,24-26,29-30H,4,7-9,11-15H2,1-3,5-6H3/t18-,19+,20+,21-,22+,24+,25+,26+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][C:23](=[O:31])[O:33][CH2:15][C@H:18]([CH3:5])[C@H:19]1[CH2:11][CH:10]=[C:16]([CH3:3])[C@@H:24]2[C@H:22]3[CH2:14][C:17](=[CH2:4])[C@@H:21]([OH:30])[CH2:12][CH2:13][C@@:28]([CH3:6])([O:35][C:27]([C@@H:20]([CH2:8][CH3:2])[OH:29])=[O:32])[C@@H:26]([C@H:25]12)[O:34]3 |
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