| Properties | Image |
|---|
| MNX_ID | MNXM33468 |
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| reference | lipidmapsM:LMST01020022 |
| formula | C42H72O2 |
| global charge | 0 |
| mol weight | 609.036 |
| InChIKey | TWLPMPGSSFTOAZ-IDDNLAAASA-N |
| InChI | InChI=1S/C42H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h11-12,23,32-33,35-39H,7-10,13-22,24-31H2,1-6H3/b12-11-/t33-,35+,36+,37-,38+,39+,41+,42-/m1/s1 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C42H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h11-12,23,32-33,35-39H,7-10,13-22,24-31H2,1-6H3/b12-11-/t33-,35+,36+,37-,38+,39+,41+,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:22][C:40](=[O:43])[O:44][C@H:35]1[CH2:27][CH2:29][C@@:41]2([CH3:5])[C:34](=[CH:23][CH2:24][C@H:36]3[C@@H:38]4[CH2:26][CH2:25][C@H:37]([C@H:33]([CH3:4])[CH2:21][CH2:19][CH2:20][CH:32]([CH3:2])[CH3:3])[C@@:42]4([CH3:6])[CH2:30][CH2:28][C@@H:39]32)[CH2:31]1 |
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