| Properties | Image |
|---|
| MNX_ID | MNXM1108277 |
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| reference | hmdb:HMDB0037236 |
| formula | C31H52O |
| global charge | 0 |
| mol weight | 440.756 |
| InChIKey | BDHQMRXFDYJGII-UHFFFAOYSA-N |
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3 |
| SMILES | C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23?,24?,25?,26?,28?,29?,30?,31? |
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| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C:21](=[CH2:3])[CH2:9][CH2:10][CH:22]([CH3:4])[CH:23]1[CH2:13][CH2:15][C:29]2([CH3:8])[CH:25]3[CH2:12][CH2:11][CH:24]4[C:27]([CH3:5])([CH3:6])[CH:26]([OH:32])[CH2:14][CH2:16][C:30]45[CH2:19][C:31]35[CH2:18][CH2:17][C:28]12[CH3:7] |
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