| Properties | Image |
| MNX_ID | MNXM164787 |
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| reference | biggM:CE7047 |
| formula | C28H47O2 |
| global charge | 0 |
| mol weight | 415.682 |
| InChIKey | LBDXFUVWQHFODO-OHCBOFHFSA-N |
| InChI | InChI=1S/C28H47O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22H,8-18H2,1-7H3/t21-,22-,28?/m0/s1 |
| SMILES | CC1=C(C)C(=O)C=C2CCC(C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O[C]21 |
MNX internals
| InChI (mnx) | InChI=1/C28H47O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22H,8-18H2,1-7H3/t21-,22-,28?/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:11][CH2:8][CH2:12][C@H:21]([CH3:3])[CH2:13][CH2:9][CH2:14][C@H:22]([CH3:4])[CH2:15][CH2:10][CH2:17][C:28]1([CH3:7])[CH2:18][CH2:16][C:25]2=[CH:19][C:26](=[O:29])[C:23]([CH3:5])=[C:24]([CH3:6])[C:27]2[O:30]1 |
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