| Properties | Image |
|---|
| MNX_ID | MNXM30293 |
 |
| reference | lipidmapsM:LMPR0104300002 |
| formula | C30H42O7 |
| global charge | 0 |
| mol weight | 514.659 |
| InChIKey | CUWPNVIPGKLCJJ-OKOVEXPGSA-N |
| InChI | InChI=1S/C30H42O7/c1-18-13-14-29(6,7)26(35-21(4)31)16-25(33)19(2)15-24-27(37-23-11-9-8-10-12-23)20(3)17-30(24,34)28(18)36-22(5)32/h8-15,18,20,24-28,33-34H,16-17H2,1-7H3/t18-,20-,24-,25?,26?,27-,28?,30+/m0/s1 |
| SMILES | CC(=O)OC1CC(O)C(C)=C[C@H]2[C@@H](OC3=CC=CC=C3)[C@@H](C)C[C@]2(O)C(OC(C)=O)[C@@H](C)C=CC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C30H42O7/c1-18-13-14-29(6,7)26(35-21(4)31)16-25(33)19(2)15-24-27(37-23-11-9-8-10-12-23)20(3)17-30(24,34)28(18)36-22(5)32/h8-15,18,20,24-28,33-34H,16-17H2,1-7H3/b14-13?,19-15?/t18-,20-,24-,25?,26?,27-,28?,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH:13]=[CH:14][C:29]([CH3:6])([CH3:7])[CH:26]([O:35][C:21]([CH3:4])=[O:31])[CH2:16][CH:25]([OH:33])[C:19]([CH3:2])=[CH:15][C@H:24]2[C@@H:27]([O:37][C:23]3=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]3)[C@@H:20]([CH3:3])[CH2:17][C@:30]2([OH:34])[CH:28]1[O:36][C:22]([CH3:5])=[O:32] |
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