| Properties | Image |
|---|
| MNX_ID | MNXM1131791 |
 |
| reference | lipidmapsM:LMST01010404 |
| formula | C30H44O3 |
| global charge | 0 |
| mol weight | 452.679 |
| InChIKey | ZROQCPFOIGVEOJ-XKPQIJIDSA-N |
| InChI | InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1 |
| SMILES | C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |
MNX internals
| InChI (mnx) | InChI=1/C30H44O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1 |
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| SMILES (mnx) | [CH3:1]/[C:19](=[CH:9]\[CH2:8][CH2:10][C@@H:20]([CH3:2])[C@H:21]1[CH2:13][CH2:16][C@@:29]2([CH3:6])[C:22]3=[C:26]([C:23](=[O:32])[CH2:17][C@:30]12[CH3:7])[C@@:28]1([CH3:5])[CH2:15][CH2:14][C:25](=[O:33])[C:27]([CH3:3])([CH3:4])[C@@H:24]1[CH2:12][CH2:11]3)[CH:18]=[O:31] |
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