| Properties | Image |
|---|
| MNX_ID | MNXM103547 |
 |
| reference | chebi:65589 |
| formula | C28H40O9 |
| global charge | 0 |
| mol weight | 520.619 |
| InChIKey | FACSSBRLFWVHQA-OISZFCHFSA-N |
| InChI | InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27-,28-/m1/s1 |
| SMILES | C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][C:22](=[O:31])[O:36][C@H:19]1[CH:13]=[C:20]2[C@@H:25]([O:34][C:17]([CH3:5])=[O:29])[O:37][C@@H:26]([O:35][C:18]([CH3:6])=[O:30])[C@@:28]23[C@@H:21]([CH2:14]1)[C@:27]([CH3:7])([CH2:12][CH2:11][C:15](=[CH2:3])[CH:9]=[CH2:2])[C@H:16]([CH3:4])[C@@H:23]([OH:32])[C@@H:24]3[OH:33] |
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