| Properties | Image |
|---|
| MNX_ID | MNXM102928 |
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| reference | chebi:67290 |
| formula | C28H34O6 |
| global charge | 0 |
| mol weight | 466.574 |
| InChIKey | ANQXYDNAHFDKKH-AFEVRESMSA-N |
| InChI | InChI=1S/C28H34O6/c1-15(29)34-22-14-19-25(2,3)21(31)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)13-17(30)23(27)16-9-12-33-24(16)32/h8-9,11,13,18-19,22-23H,7,10,12,14H2,1-6H3/t18-,19+,22-,23-,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@H]3C3=CCOC3=O)[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H34O6/c1-15(29)34-22-14-19-25(2,3)21(31)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)13-17(30)23(27)16-9-12-33-24(16)32/h8-9,11,13,18-19,22-23H,7,10,12,14H2,1-6H3/t18-,19+,22-,23-,26-,27+,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:15](=[O:29])[O:34][C@@H:22]1[CH2:14][C@H:19]2[C:25]([CH3:2])([CH3:3])[C:21](=[O:31])[CH:8]=[CH:11][C@:26]2([CH3:4])[C@H:18]2[CH2:7][CH2:10][C@@:27]3([CH3:5])[C:20](=[CH:13][C:17](=[O:30])[C@H:23]3[C:16]3=[CH:9][CH2:12][O:33][C:24]3=[O:32])[C@@:28]21[CH3:6] |
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