| Properties | Image |
|---|
| MNX_ID | MNXM12850 |
 |
| reference | chebi:80415 |
| formula | C42H60O4 |
| global charge | 0 |
| mol weight | 628.938 |
| InChIKey | YYCQFETXOGJFMD-IDPZBRFSSA-N |
| InChI | InChI=1S/C42H60O4/c1-33(21-15-23-35(3)25-17-27-37(5)39(43)29-31-41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)40(44)30-32-42(9,10)46-12/h13-28H,29-32H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+ |
| SMILES | COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)CCC(C)(C)OC |
MNX internals
| InChI (mnx) | InChI=1/C42H60O4/c1-33(21-15-23-35(3)25-17-27-37(5)39(43)29-31-41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)40(44)30-32-42(9,10)46-12/h13-28H,29-32H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+ |
 |
| SMILES (mnx) | [CH3:1][C:33](=[CH:19]\[CH:13]=[CH:14]\[CH:20]=[C:34]([CH3:2])\[CH:22]=[CH:16]\[CH:24]=[C:36]([CH3:4])\[CH:26]=[CH:18]\[CH:28]=[C:38](/[CH3:6])[C:40]([CH2:30][CH2:32][C:42]([CH3:9])([CH3:10])[O:46][CH3:12])=[O:44])/[CH:21]=[CH:15]/[CH:23]=[C:35]([CH3:3])/[CH:25]=[CH:17]/[CH:27]=[C:37](\[CH3:5])[C:39]([CH2:29][CH2:31][C:41]([CH3:7])([CH3:8])[O:45][CH3:11])=[O:43] |
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