| Properties | Image |
|---|
| MNX_ID | MNXM1371360 |
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| reference | keggC:C17568 |
| formula | C39H58O4 |
| global charge | 0 |
| mol weight | 590.889 |
| InChIKey | GXNFPEOUKFOTKY-LPHQIWJTSA-N |
| InChI | InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+ |
| SMILES | COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+ |
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| SMILES (mnx) | [CH3:1][C:28]([CH3:2])=[CH:16][CH2:11][CH2:17]/[C:29]([CH3:3])=[CH:18]/[CH2:12][CH2:19]/[C:30]([CH3:4])=[CH:20]/[CH2:13][CH2:21]/[C:31]([CH3:5])=[CH:22]/[CH2:14][CH2:23]/[C:32]([CH3:6])=[CH:24]/[CH2:15][CH2:25]/[C:33]([CH3:7])=[CH:26]/[CH2:27][C:35]1=[C:34]([CH3:8])[C:36](=[O:40])[C:38]([O:42][CH3:9])=[C:39]([O:43][CH3:10])[C:37]1=[O:41] |
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