| Properties | Image |
MNX_ID | MNXM325652 |
 |
reference | slm:000126895 |
formula | C46H84O6 |
global charge | 0 |
mol weight | 733.172 |
InChIKey | WPIBHGACEUERDH-ZQAWRPMYSA-N |
InChI | InChI=1S/C46H84O6/c1-5-7-9-11-13-15-16-17-18-19-20-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-21-14-12-10-8-6-2)52-46(49)39-35-31-27-23-24-28-32-36-42(3)4/h13,15,17-18,42-43H,5-12,14,16,19-41H2,1-4H3/b15-13-,18-17-/t43-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C46H84O6/c1-5-7-9-11-13-15-16-17-18-19-20-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-21-14-12-10-8-6-2)52-46(49)39-35-31-27-23-24-28-32-36-42(3)4/h13,15,17-18,42-43H,5-12,14,16,19-41H2,1-4H3/b15-13-,18-17-/t43-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][C:45](=[O:48])[O:51][CH2:41][C@H:43]([CH2:40][O:50][C:44]([CH2:37][CH2:33][CH2:29][CH2:25][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:47])[O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:24][CH2:28][CH2:32][CH2:36][CH:42]([CH3:3])[CH3:4])=[O:49] |
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