| Properties | Image |
MNX_ID | MNXM351308 |
 |
reference | slm:000128959 |
formula | C48H84O6 |
global charge | 0 |
mol weight | 757.194 |
InChIKey | WKDSNISRHQZNPC-AZYRXZPWSA-N |
InChI | InChI=1S/C48H84O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-28-33-37-41-48(51)54-45(42-52-46(49)39-35-31-27-23-14-12-10-8-6-2)43-53-47(50)40-36-32-29-25-26-30-34-38-44(3)4/h7,9,13,15,17-18,20-21,44-45H,5-6,8,10-12,14,16,19,22-43H2,1-4H3/b9-7-,15-13-,18-17-,21-20-/t45-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C48H84O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-28-33-37-41-48(51)54-45(42-52-46(49)39-35-31-27-23-14-12-10-8-6-2)43-53-47(50)40-36-32-29-25-26-30-34-38-44(3)4/h7,9,13,15,17-18,20-21,44-45H,5-6,8,10-12,14,16,19,22-43H2,1-4H3/b9-7-,15-13-,18-17-,21-20-/t45-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][CH2:28][CH2:33][CH2:37][CH2:41][C:48](=[O:51])[O:54][C@H:45]([CH2:42][O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:49])[CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH:44]([CH3:3])[CH3:4])=[O:50] |
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