| Properties | Image |
|---|
| MNX_ID | MNXM105202 |
 |
| reference | chebi:65909 |
| formula | C28H44O10 |
| global charge | 0 |
| mol weight | 540.65 |
| InChIKey | ZBNOVDLAFYUSJT-KHGPFLBYSA-N |
| InChI | InChI=1S/C28H44O10/c1-8-26(5)11-15(31)22-27(6,38-26)12-16(35-14(2)30)23-25(3,4)10-9-18(28(22,23)7)37-24-21(34)20(33)19(32)17(13-29)36-24/h8,16-24,29,32-34H,1,9-13H2,2-7H3/t16-,17-,18+,19-,20+,21-,22+,23+,24+,26+,27-,28-/m1/s1 |
| SMILES | C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CCC(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@@]2(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H44O10/c1-8-26(5)11-15(31)22-27(6,38-26)12-16(35-14(2)30)23-25(3,4)10-9-18(28(22,23)7)37-24-21(34)20(33)19(32)17(13-29)36-24/h8,16-24,29,32-34H,1,9-13H2,2-7H3/t16-,17-,18+,19-,20+,21-,22+,23+,24+,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][C@@:26]1([CH3:5])[CH2:11][C:15](=[O:31])[C@H:22]2[C@@:27]([CH3:6])([CH2:12][C@@H:16]([O:35][C:14]([CH3:2])=[O:30])[C@H:23]3[C:25]([CH3:3])([CH3:4])[CH2:10][CH2:9][C@H:18]([O:37][C@H:24]4[C@H:21]([OH:34])[C@@H:20]([OH:33])[C@H:19]([OH:32])[C@@H:17]([CH2:13][OH:29])[O:36]4)[C@:28]23[CH3:7])[O:38]1 |
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