| Properties | Image |
|---|
| MNX_ID | MNXM101482 |
 |
| reference | chebi:67288 |
| formula | C28H34O6 |
| global charge | 0 |
| mol weight | 466.574 |
| InChIKey | QXKHBVSTPRHRQV-CMBOGFGBSA-N |
| InChI | InChI=1S/C28H34O6/c1-16(29)34-23-14-19-24(2,3)21(30)8-10-25(19,4)18-7-11-26(5)20(27(18,23)6)13-22(31)28(26,32)17-9-12-33-15-17/h8-10,12-13,15,18-19,23,32H,7,11,14H2,1-6H3/t18-,19+,23-,25-,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(=CC(=O)[C@]3(O)C3=COC=C3)[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H34O6/c1-16(29)34-23-14-19-24(2,3)21(30)8-10-25(19,4)18-7-11-26(5)20(27(18,23)6)13-22(31)28(26,32)17-9-12-33-15-17/h8-10,12-13,15,18-19,23,32H,7,11,14H2,1-6H3/t18-,19+,23-,25-,26-,27-,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:16](=[O:29])[O:34][C@@H:23]1[CH2:14][C@H:19]2[C:24]([CH3:2])([CH3:3])[C:21](=[O:30])[CH:8]=[CH:10][C@:25]2([CH3:4])[C@H:18]2[CH2:7][CH2:11][C@:26]3([CH3:5])[C:20](=[CH:13][C:22](=[O:31])[C@@:28]3([C:17]3=[CH:15][O:33][CH:12]=[CH:9]3)[OH:32])[C@@:27]21[CH3:6] |
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