| Properties | Image |
|---|
| MNX_ID | MNXM101453 |
 |
| reference | chebi:67283 |
| formula | C28H34O6 |
| global charge | 0 |
| mol weight | 466.574 |
| InChIKey | LZENOAGERLXZPK-RRVWWXAYSA-N |
| InChI | InChI=1S/C28H34O6/c1-15(29)34-20-13-18-25(2,3)19(30)8-11-26(18,4)17-7-10-27(5)21(16-9-12-33-14-16)22(31)23(32)24(27)28(17,20)6/h8-9,11-12,14,17-18,20-21,32H,7,10,13H2,1-6H3/t17-,18+,20-,21-,26-,27+,28+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=C(O)C(=O)[C@H]3C3=COC=C3)[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H34O6/c1-15(29)34-20-13-18-25(2,3)19(30)8-11-26(18,4)17-7-10-27(5)21(16-9-12-33-14-16)22(31)23(32)24(27)28(17,20)6/h8-9,11-12,14,17-18,20-21,32H,7,10,13H2,1-6H3/t17-,18+,20-,21-,26-,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:29])[O:34][C@@H:20]1[CH2:13][C@H:18]2[C:25]([CH3:2])([CH3:3])[C:19](=[O:30])[CH:8]=[CH:11][C@:26]2([CH3:4])[C@H:17]2[CH2:7][CH2:10][C@@:27]3([CH3:5])[C@H:21]([C:16]4=[CH:14][O:33][CH:12]=[CH:9]4)[C:22](=[O:31])[C:23]([OH:32])=[C:24]3[C@@:28]21[CH3:6] |
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