| Properties | Image |
|---|
| MNX_ID | MNXM117672 |
 |
| reference | hmdb:HMDB0039753 |
| formula | C30H50O2 |
| global charge | 0 |
| mol weight | 442.728 |
| InChIKey | RLKGJYSFFCRCGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3 |
| SMILES | CC(CCCC(C)(C)O)C1CCC2(C)C3CC=C4C(C)(C)C(O)CCC45CC35CCC12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20?,21?,23?,24?,27?,28?,29?,30? |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH2:9][CH2:8][CH2:14][C:25]([CH3:2])([CH3:3])[OH:32])[CH:21]1[CH2:12][CH2:15][C:28]2([CH3:7])[CH:23]3[CH2:11][CH:10]=[C:22]4[C:26]([CH3:4])([CH3:5])[CH:24]([OH:31])[CH2:13][CH2:16][C:29]45[CH2:19][C:30]35[CH2:18][CH2:17][C:27]12[CH3:6] |
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