| Properties | Image |
|---|
| MNX_ID | MNXM1173015 |
 |
| reference | envipathM:...f57f20ede1a1 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LKZFCTSGKCCYGN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-25-33-44(57)54(61)64-42(40-62-49(58)38-30-21-16-19-27-35-45-46(65-45)36-28-20-17-24-31-39-55)41-63-53(60)43(56)32-26-22-23-29-37-48-52(67-48)50(59)51-47(66-51)34-6-4-2/h8-9,11-12,20,28,42-48,50-52,55-57,59H,3-7,10,13-19,21-27,29-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-25-33-44(57)54(61)64-42(40-62-49(58)38-30-21-16-19-27-35-45-46(65-45)36-28-20-17-24-31-39-55)41-63-53(60)43(56)32-26-22-23-29-37-48-52(67-48)50(59)51-47(66-51)34-6-4-2/h8-9,11-12,20,28,42-48,50-52,55-57,59H,3-7,10,13-19,21-27,29-41H2,1-2H3/b9-8?,12-11?,28-20?/t42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:25][CH2:33][CH:44]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:49]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:19][CH2:27][CH2:35][CH:45]1[CH:46]([CH2:36][CH:28]=[CH:20][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])[O:65]1)=[O:58])[CH2:41][O:63][C:53]([CH:43]([CH2:32][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][CH:48]1[CH:52]([CH:50]([CH:51]2[CH:47]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:59])[O:67]1)[OH:56])=[O:60])[OH:57] |
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