| Properties | Image |
MNX_ID | MNXM1370508 |
 |
reference | keggC:C05804 |
formula | C38H56O3 |
global charge | 0 |
mol weight | 560.863 |
InChIKey | RLVSEUWSBSQQOE-NSUIJKAQSA-N |
InChI | InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ |
SMILES | COC1=CC(=O)C(C)=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)C1=O |
MNX internals
InChI (mnx) | InChI=1/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+ |
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SMILES (mnx) | [CH3:1][C:28]([CH3:2])=[CH:15][CH2:10][CH2:16]/[C:29]([CH3:3])=[CH:17]/[CH2:11][CH2:18]/[C:30]([CH3:4])=[CH:19]/[CH2:12][CH2:20]/[C:31]([CH3:5])=[CH:21]/[CH2:13][CH2:22]/[C:32]([CH3:6])=[CH:23]/[CH2:14][CH2:24]/[C:33]([CH3:7])=[CH:25]/[CH2:26][C:35]1=[C:34]([CH3:8])[C:36](=[O:39])[CH:27]=[C:37]([O:41][CH3:9])[C:38]1=[O:40] |
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