| Properties | Image |
|---|
| MNX_ID | MNXM173416 |
 |
| reference | slm:000500298 |
| formula | C51H82O2 |
| global charge | 0 |
| mol weight | 727.215 |
| InChIKey | ZUYGIQJEIDVTFY-ZFCMDNOISA-N |
| InChI | InChI=1S/C51H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h11-12,14-15,17-18,20-21,23-24,32,41-42,44-48H,7-10,13,16,19,22,25-31,33-40H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C51H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h11-12,14-15,17-18,20-21,23-24,32,41-42,44-48H,7-10,13,16,19,22,25-31,33-40H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:31][C:49](=[O:52])[O:53][C@H:44]1[CH2:36][CH2:38][C@@:50]2([CH3:5])[C:43](=[CH:32][CH2:33][C@H:45]3[C@@H:47]4[CH2:35][CH2:34][C@H:46]([C@H:42]([CH3:4])[CH2:30][CH2:28][CH2:29][CH:41]([CH3:2])[CH3:3])[C@@:51]4([CH3:6])[CH2:39][CH2:37][C@@H:48]32)[CH2:40]1 |
|