| Properties | Image |
|---|
| MNX_ID | MNXM102205 |
 |
| reference | chebi:69046 |
| formula | C28H34O8 |
| global charge | 0 |
| mol weight | 498.572 |
| InChIKey | VGEVFODMPBFOHX-XJHXUBQGSA-N |
| InChI | InChI=1S/C28H34O8/c1-15(29)33-19-13-18-24(2,3)35-20(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,36-22)27(17,19)6/h8-10,12,14,17-19,21-22H,7,11,13H2,1-6H3/t17-,18+,19-,21-,22-,25-,26+,27+,28-/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C4=COC=C4)OC(=O)[C@H]4O[C@]43[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H34O8/c1-15(29)33-19-13-18-24(2,3)35-20(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,36-22)27(17,19)6/h8-10,12,14,17-19,21-22H,7,11,13H2,1-6H3/t17-,18+,19-,21-,22-,25-,26+,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:29])[O:33][C@@H:19]1[CH2:13][C@H:18]2[C:24]([CH3:2])([CH3:3])[O:35][C:20](=[O:30])[CH:8]=[CH:10][C@:25]2([CH3:4])[C@H:17]2[CH2:7][CH2:11][C@@:26]3([CH3:5])[C@@H:21]([C:16]4=[CH:14][O:32][CH:12]=[CH:9]4)[O:34][C:23](=[O:31])[C@@H:22]4[C@@:28]3([C@@:27]21[CH3:6])[O:36]4 |
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