| Properties | Image |
|---|
| MNX_ID | MNXM325661 |
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| reference | slm:000131168 |
| formula | C49H90O6 |
| global charge | 0 |
| mol weight | 775.253 |
| InChIKey | YDKIYRJYSFIVRO-MPEDFZKCSA-N |
| InChI | InChI=1S/C49H90O6/c1-5-7-9-11-13-15-17-19-20-21-23-25-29-33-37-41-48(51)54-44-46(55-49(52)42-38-34-30-26-27-31-35-39-45(3)4)43-53-47(50)40-36-32-28-24-22-18-16-14-12-10-8-6-2/h13,15,19-20,45-46H,5-12,14,16-18,21-44H2,1-4H3/b15-13-,20-19-/t46-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C49H90O6/c1-5-7-9-11-13-15-17-19-20-21-23-25-29-33-37-41-48(51)54-44-46(55-49(52)42-38-34-30-26-27-31-35-39-45(3)4)43-53-47(50)40-36-32-28-24-22-18-16-14-12-10-8-6-2/h13,15,19-20,45-46H,5-12,14,16-18,21-44H2,1-4H3/b15-13-,20-19-/t46-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][C:48](=[O:51])[O:54][CH2:44][C@H:46]([CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:50])[O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH:45]([CH3:3])[CH3:4])=[O:52] |
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