| Properties | Image |
|---|
| MNX_ID | MNXM24522 |
 |
| reference | lipidmapsM:LMST01030112 |
| formula | C29H48O |
| global charge | 0 |
| mol weight | 412.702 |
| InChIKey | VGQRBDKDCDCWNB-ULBIVEPRSA-N |
| InChI | InChI=1S/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h11,19,21-22,24-26,30H,2,8-10,12-18H2,1,3-7H3/t19-,21+,22+,24-,25+,26+,28+,29-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h11,19,21-22,24-26,30H,2,8-10,12-18H2,1,3-7H3/t19-,21+,22+,24-,25+,26+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]([CH2:8][CH2:9][C:20](=[CH2:2])[C:27]([CH3:3])([CH3:4])[CH3:5])[C@H:24]1[CH2:12][CH2:13][C@H:25]2[C:23]3=[CH:11][CH2:10][C@H:21]4[CH2:18][C@@H:22]([OH:30])[CH2:14][CH2:16][C@:28]4([CH3:6])[C@H:26]3[CH2:15][CH2:17][C@:29]12[CH3:7] |
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