| Properties | Image |
|---|
| MNX_ID | MNXM17301 |
 |
| reference | metacycM:CPD-9598 |
| formula | C42H58O5 |
| global charge | 0 |
| mol weight | 642.921 |
| InChIKey | LHTWOCYDZMMOOG-IVXJDZNUSA-N |
| InChI | InChI=1S/C42H58O5/c1-3-5-7-11-19-29-37(31-21-15-9-13-17-25-35-27-23-33-39(43)41(35)45)47-38(30-20-12-8-6-4-2)32-22-16-10-14-18-26-36-28-24-34-40(44)42(36)46/h3-8,11-12,19-20,23-24,27-30,33-34,37-38,43-46H,9-10,13-18,21-22,25-26,31-32H2,1-2H3/b5-3-,6-4-,11-7+,12-8+,29-19+,30-20+ |
| SMILES | C/C=C\C=C\C=C\C(CCCCCCCC1=CC=CC(O)=C1O)OC(/C=C/C=C/C=C\C)CCCCCCCC1=C(O)C(O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C42H58O5/c1-3-5-7-11-19-29-37(31-21-15-9-13-17-25-35-27-23-33-39(43)41(35)45)47-38(30-20-12-8-6-4-2)32-22-16-10-14-18-26-36-28-24-34-40(44)42(36)46/h3-8,11-12,19-20,23-24,27-30,33-34,37-38,43-46H,9-10,13-18,21-22,25-26,31-32H2,1-2H3/b5-3-,6-4-,11-7+,12-8+,29-19+,30-20+/t37?,38? |
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| SMILES (mnx) | [CH3:1]/[CH:3]=[CH:5]\[CH:7]=[CH:11]\[CH:19]=[CH:29]\[CH:37]([CH2:31][CH2:21][CH2:15][CH2:9][CH2:13][CH2:17][CH2:25][C:35]1=[C:41]([OH:45])[C:39]([OH:43])=[CH:33][CH:23]=[CH:27]1)[O:47][CH:38](/[CH:30]=[CH:20]/[CH:12]=[CH:8]/[CH:6]=[CH:4]\[CH3:2])[CH2:32][CH2:22][CH2:16][CH2:10][CH2:14][CH2:18][CH2:26][C:36]1=[C:42]([OH:46])[C:40]([OH:44])=[CH:34][CH:24]=[CH:28]1 |
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