| Properties | Image |
|---|
| MNX_ID | MNXM164209 |
 |
| reference | metacycM:CPD-18415 |
| formula | C26H36O10 |
| global charge | 0 |
| mol weight | 508.564 |
| InChIKey | NOTOVTQRFFVBSB-ZYWOEDSGSA-N |
| InChI | InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26?/m0/s1 |
| SMILES | CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)C12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:8][C:20](=[O:30])[O:35][C@H:18]1[CH2:10][C@@:25]2([CH2:11][O:31][C:15]([CH3:4])=[O:27])[C@@H:19]([CH:9]=[C:14]1[CH3:3])[O:36][C@@H:23]1[C@H:21]([O:33][C:16]([CH3:5])=[O:28])[C@@H:22]([O:34][C:17]([CH3:6])=[O:29])[C@@:24]2([CH3:7])[C:26]12[CH2:12][O:32]2 |
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