| Properties | Image |
|---|
| MNX_ID | MNXM59726 |
 |
| reference | chebi:52382 |
| formula | C48H82O2 |
| global charge | 0 |
| mol weight | 691.182 |
| InChIKey | DKYFEOWQCCNWLB-GYZZQDEESA-N |
| InChI | InChI=1S/C48H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-44(49)50-43-33-34-46(7)40-32-36-47(8)39(38(4)27-25-26-37(2)3)31-35-48(47,9)41(40)29-30-42(46)45(43,5)6/h17-18,26,38-39,42-43H,10-16,19-25,27-36H2,1-9H3/b18-17-/t38-,39-,42+,43+,46-,47-,48+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 |
MNX internals
| InChI (mnx) | InChI=1/C48H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-44(49)50-43-33-34-46(7)40-32-36-47(8)39(38(4)27-25-26-37(2)3)31-35-48(47,9)41(40)29-30-42(46)45(43,5)6/h17-18,26,38-39,42-43H,10-16,19-25,27-36H2,1-9H3/b18-17-/t38-,39-,42+,43+,46-,47-,48+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:28][C:44](=[O:49])[O:50][C@H:43]1[CH2:33][CH2:34][C@:46]2([CH3:7])[C:40]3=[C:41]([CH2:29][CH2:30][C@H:42]2[C:45]1([CH3:5])[CH3:6])[C@:48]1([CH3:9])[CH2:35][CH2:31][C@H:39]([C@H:38]([CH3:4])[CH2:27][CH2:25][CH:26]=[C:37]([CH3:2])[CH3:3])[C@@:47]1([CH3:8])[CH2:36][CH2:32]3 |
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