| Properties | Image |
|---|
| MNX_ID | MNXM1181167 |
 |
| reference | envipathM:...5003eaff0964 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | WLGLQFDZBPDEPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-20-28-36-46-47(65-46)37-29-22-19-25-31-39-50(58)63-43-44(64-51(59)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)42-62-49(57)38-30-24-18-21-27-34-45(56)52(60)53(61)54-48(66-54)35-6-4-2/h8-9,13,15,20,28,44,46-48,52-55,60-61H,3-7,10-12,14,16-19,21-27,29-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(=O)C(O)C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-20-28-36-46-47(65-46)37-29-22-19-25-31-39-50(58)63-43-44(64-51(59)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)42-62-49(57)38-30-24-18-21-27-34-45(56)52(60)53(61)54-48(66-54)35-6-4-2/h8-9,13,15,20,28,44,46-48,52-55,60-61H,3-7,10-12,14,16-19,21-27,29-43H2,1-2H3/b9-8?,15-13?,28-20?/t44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:28][CH2:36][CH:46]1[CH:47]([CH2:37][CH2:29][CH2:22][CH2:19][CH2:25][CH2:31][CH2:39][C:50](=[O:58])[O:63][CH2:43][CH:44]([CH2:42][O:62][C:49]([CH2:38][CH2:30][CH2:24][CH2:18][CH2:21][CH2:27][CH2:34][C:45]([CH:52]([CH:53]([CH:54]2[CH:48]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:61])[OH:60])=[O:56])=[O:57])[O:64][C:51]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:26][CH2:33][CH2:41][OH:55])=[O:59])[O:65]1 |
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