| Properties | Image |
|---|
| MNX_ID | MNXM107953 |
 |
| reference | chebi:69017 |
| formula | C28H30O9 |
| global charge | 0 |
| mol weight | 510.539 |
| InChIKey | HVTFEHJSUSPQBK-IIOAQAAUSA-N |
| InChI | InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15+,16-,18+,19-,23+,24-,25-,26+,27+,28-/m0/s1 |
| SMILES | C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)C(CO[C@@]16O[C@]23[C@H]5C6=O)C(=O)O4 |
MNX internals
| InChI (mnx) | InChI=1/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15+,16-,18+,19-,23+,24-,25-,26+,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:23]12[CH2:11][C@@H:18]3[C@@:25]4([CH3:3])[C@@:28]56[C@H:19]1[C:20](=[O:30])[C@:27]([C@@H:15]1[CH2:8][CH:7]=[C:13]7[CH2:5][CH:4]=[CH:6][C:17](=[O:29])[C@:24]7([CH3:2])[C@H:14]1[CH2:9][CH2:10][C@@:26]5([OH:33])[C:22](=[O:32])[O:36]4)([O:34][CH2:12][C@H:16]2[C:21](=[O:31])[O:35]3)[O:37]6 |
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