| Properties | Image |
|---|
| MNX_ID | MNXM97387 |
 |
| reference | chebi:190506 |
| formula | C28H40O10 |
| global charge | 0 |
| mol weight | 536.618 |
| InChIKey | VWTJGLYGEBYALH-LNLYLEBQSA-N |
| InChI | InChI=1S/C28H40O10/c1-12-20(36-15(4)30)11-21(33)28(9)22(12)24(34)18-10-19(35-14(3)29)13(2)23(27(18,7)8)25(37-16(5)31)26(28)38-17(6)32/h18-22,24-26,33-34H,1,10-11H2,2-9H3/t18-,19-,20-,21-,22-,24+,25+,26-,28+/m0/s1 |
| SMILES | C=C1[C@@H](OC(C)=O)C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H40O10/c1-12-20(36-15(4)30)11-21(33)28(9)22(12)24(34)18-10-19(35-14(3)29)13(2)23(27(18,7)8)25(37-16(5)31)26(28)38-17(6)32/h18-22,24-26,33-34H,1,10-11H2,2-9H3/t18-,19-,20-,21-,22-,24+,25+,26-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]1[C@@H:20]([O:36][C:15]([CH3:4])=[O:30])[CH2:11][C@H:21]([OH:33])[C@:28]2([CH3:9])[C@@H:22]1[C@H:24]([OH:34])[C@@H:18]1[CH2:10][C@H:19]([O:35][C:14]([CH3:3])=[O:29])[C:13]([CH3:2])=[C:23]([C@@H:25]([O:37][C:16]([CH3:5])=[O:31])[C@@H:26]2[O:38][C:17]([CH3:6])=[O:32])[C:27]1([CH3:7])[CH3:8] |
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