| Properties | Image |
|---|
| MNX_ID | MNXM13205 |
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| reference | chebi:84432 |
| formula | C44H68O4 |
| global charge | 0 |
| mol weight | 661.024 |
| InChIKey | PFIUSPPKANBDHQ-RJYQSXAYSA-N |
| InChI | InChI=1S/C44H68O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30,45-46H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+ |
| SMILES | COC1=C(O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(O)=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C44H68O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30,45-46H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+ |
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| SMILES (mnx) | [CH3:1][C:32]([CH3:2])=[CH:18][CH2:12][CH2:19]/[C:33]([CH3:3])=[CH:20]/[CH2:13][CH2:21]/[C:34]([CH3:4])=[CH:22]/[CH2:14][CH2:23]/[C:35]([CH3:5])=[CH:24]/[CH2:15][CH2:25]/[C:36]([CH3:6])=[CH:26]/[CH2:16][CH2:27]/[C:37]([CH3:7])=[CH:28]/[CH2:17][CH2:29]/[C:38]([CH3:8])=[CH:30]/[CH2:31][C:40]1=[C:39]([CH3:9])[C:41]([OH:45])=[C:43]([O:47][CH3:10])[C:44]([O:48][CH3:11])=[C:42]1[OH:46] |
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