| Properties | Image |
|---|
| MNX_ID | MNXM337797 |
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| reference | slm:000130349 |
| formula | C49H82O6 |
| global charge | 0 |
| mol weight | 767.189 |
| InChIKey | PLJDHHRVKIXYAW-RQUOJOEHSA-N |
| InChI | InChI=1S/C49H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-23,25-26,31,33,46H,4-6,8-9,11-13,15,18,20-21,24,27-30,32,34-45H2,1-3H3/b10-7-,17-14-,19-16-,23-22-,26-25-,33-31-/t46-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H82O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-23,25-26,31,33,46H,4-6,8-9,11-13,15,18,20-21,24,27-30,32,34-45H2,1-3H3/b10-7-,17-14-,19-16-,23-22-,26-25-,33-31-/t46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:27][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:29][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52] |
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