| Properties | Image |
|---|
| MNX_ID | MNXM157881 |
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| reference | metacycM:CPD-17307 |
| formula | C42H62O3 |
| global charge | 0 |
| mol weight | 614.955 |
| InChIKey | DUHDYFGXWSZKKS-HHIGAVIFSA-N |
| InChI | InChI=1S/C42H62O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-16,18,20-25,27-29,31-32H,17,19,26,30,33H2,1-12H3/b14-13+,22-15+,23-16+,27-18+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ |
| SMILES | COC(C)(C)CCC/C(C)=C/CC/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)C(C)(C)OC |
MNX internals
| InChI (mnx) | InChI=1/C42H62O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-16,18,20-25,27-29,31-32H,17,19,26,30,33H2,1-12H3/b14-13+,22-15+,23-16+,27-18+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ |
 |
| SMILES (mnx) | [CH3:1][C:34](=[CH:20]\[CH:13]=[CH:14]\[CH:21]=[C:35]([CH3:2])\[CH:23]=[CH:16]\[CH:25]=[C:37]([CH3:4])\[CH:27]=[CH:18]\[CH:29]=[C:39]([CH3:6])\[CH:31]=[CH:32]\[C:40]([C:42]([CH3:9])([CH3:10])[O:45][CH3:12])=[O:43])/[CH:22]=[CH:15]/[CH:24]=[C:36](\[CH3:3])[CH2:26][CH2:17]/[CH:28]=[C:38](\[CH3:5])[CH2:30][CH2:19][CH2:33][C:41]([CH3:7])([CH3:8])[O:44][CH3:11] |
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