| Properties | Image |
|---|
| MNX_ID | MNXM1194047 |
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| reference | envipathM:...32df80a600cd |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | GMTWQJPVXISQNJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-33-47-53(65-47)52(60)54-48(66-54)35-25-19-17-22-27-38-50(58)62-42-44(63-51(59)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)41-61-49(57)37-26-21-16-18-24-34-45-46(64-45)36-30-32-43(56)31-4-2/h6-7,11,13,44-48,52-55,60H,3-5,8-10,12,14-42H2,1-2H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCC(=O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-33-47-53(65-47)52(60)54-48(66-54)35-25-19-17-22-27-38-50(58)62-42-44(63-51(59)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)41-61-49(57)37-26-21-16-18-24-34-45-46(64-45)36-30-32-43(56)31-4-2/h6-7,11,13,44-48,52-55,60H,3-5,8-10,12,14-42H2,1-2H3/b7-6?,13-11?/t44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:47]1[CH:53]([CH:52]([CH:54]2[CH:48]([CH2:35][CH2:25][CH2:19][CH2:17][CH2:22][CH2:27][CH2:38][C:50](=[O:58])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:49]([CH2:37][CH2:26][CH2:21][CH2:16][CH2:18][CH2:24][CH2:34][CH:45]3[CH:46]([CH2:36][CH2:30][CH2:32][C:43]([CH2:31][CH2:4][CH3:2])=[O:56])[O:64]3)=[O:57])[O:63][C:51]([CH2:39][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:23][CH2:29][CH2:40][OH:55])=[O:59])[O:66]2)[OH:60])[O:65]1 |
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