| Properties | Image |
|---|
| MNX_ID | MNXM1131903 |
 |
| reference | lipidmapsM:LMST01040275 |
| formula | C30H50O2 |
| global charge | 0 |
| mol weight | 442.728 |
| InChIKey | QHONYVSXQIQORT-SWHREZDZSA-N |
| InChI | InChI=1S/C30H50O2/c1-8-21(18(2)3)10-9-19(4)22-11-12-23-28-24(13-15-29(22,23)6)30(7)16-14-26(31)20(5)25(30)17-27(28)32/h18-19,21-22,24-27,31-32H,5,8-17H2,1-4,6-7H3/t19-,21+,22-,24+,25+,26+,27-,29-,30-/m1/s1 |
| SMILES | C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H50O2/c1-8-21(18(2)3)10-9-19(4)22-11-12-23-28-24(13-15-29(22,23)6)30(7)16-14-26(31)20(5)25(30)17-27(28)32/h18-19,21-22,24-27,31-32H,5,8-17H2,1-4,6-7H3/t19-,21+,22-,24+,25+,26+,27-,29-,30-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][C@@H:21]([CH2:10][CH2:9][C@@H:19]([CH3:4])[C@H:22]1[CH2:11][CH2:12][C:23]2=[C:28]3[C@H:24]([CH2:13][CH2:15][C@:29]12[CH3:6])[C@@:30]1([CH3:7])[CH2:16][CH2:14][C@H:26]([OH:31])[C:20](=[CH2:5])[C@@H:25]1[CH2:17][C@H:27]3[OH:32])[CH:18]([CH3:2])[CH3:3] |
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