| Properties | Image |
|---|
| MNX_ID | MNXM102124 |
 |
| reference | chebi:70539 |
| formula | C34H50O8 |
| global charge | 0 |
| mol weight | 586.766 |
| InChIKey | BRIOQTDLFXBKFB-WETQLOSTSA-N |
| InChI | InChI=1S/C34H50O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(36)41-32-19-22(3)33(39)23-18-21(2)27(37)34(23,40)29(38)31(20-35)28(42-31)25(33)26(32)30(32,4)5/h14-18,22-23,25-26,28-29,35,38-40H,6-13,19-20H2,1-5H3/b15-14-,17-16+/t22-,23+,25-,26-,28+,29-,31+,32+,33+,34-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\C=C\C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C34H50O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(36)41-32-19-22(3)33(39)23-18-21(2)27(37)34(23,40)29(38)31(20-35)28(42-31)25(33)26(32)30(32,4)5/h14-18,22-23,25-26,28-29,35,38-40H,6-13,19-20H2,1-5H3/b15-14-,17-16+/t22-,23+,25-,26-,28+,29-,31+,32+,33+,34-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH:16]=[CH:17]\[C:24](=[O:36])[O:41][C@@:32]12[CH2:19][C@@H:22]([CH3:3])[C@:33]3([OH:39])[C@@H:23]4[CH:18]=[C:21]([CH3:2])[C:27](=[O:37])[C@@:34]4([OH:40])[C@H:29]([OH:38])[C@:31]4([CH2:20][OH:35])[C@H:28]([C@H:25]3[C@@H:26]1[C:30]2([CH3:4])[CH3:5])[O:42]4 |
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