| Properties | Image |
|---|
| MNX_ID | MNXM101674 |
 |
| reference | chebi:67291 |
| formula | C28H38O5 |
| global charge | 0 |
| mol weight | 454.607 |
| InChIKey | LXNMRBHGHQWYSQ-PLNCUQKMSA-N |
| InChI | InChI=1S/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,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[C@H]3[C@H]3COC(=O)C3)[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:16](=[O:29])[O:33][C@@H:23]1[CH2:14][C@H:21]2[C:25]([CH3:2])([CH3:3])[C:22](=[O:30])[CH:10]=[CH:12][C@:27]2([CH3:5])[C@H:20]2[CH2:9][CH2:11][C@@:26]3([CH3:4])[C@H:18]([C@@H:17]4[CH2:13][C:24](=[O:31])[O:32][CH2:15]4)[CH2:7][CH:8]=[C:19]3[C@@:28]21[CH3:6] |
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