| Properties | Image |
|---|
| MNX_ID | MNXM1176619 |
 |
| reference | envipathM:...2f8794d754b7 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ORKLXBZAJHDMHS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-8-9-10-13-20-30-43(56)31-21-18-19-26-38-53(62)65-44(40-63-51(60)36-24-16-11-14-22-33-45(57)46(58)34-27-32-42(55)28-5-2)41-64-52(61)37-25-17-12-15-23-35-48-49(66-48)39-50-54(67-50)47(59)29-6-3/h9-10,20,27,30,32,42,44-50,54-55,57-59H,4-8,11-19,21-26,28-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-8-9-10-13-20-30-43(56)31-21-18-19-26-38-53(62)65-44(40-63-51(60)36-24-16-11-14-22-33-45(57)46(58)34-27-32-42(55)28-5-2)41-64-52(61)37-25-17-12-15-23-35-48-49(66-48)39-50-54(67-50)47(59)29-6-3/h9-10,20,27,30,32,42,44-50,54-55,57-59H,4-8,11-19,21-26,28-29,31,33-41H2,1-3H3/b10-9?,30-20?,32-27?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:13][CH:20]=[CH:30][C:43]([CH2:31][CH2:21][CH2:18][CH2:19][CH2:26][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:40][O:63][C:51]([CH2:36][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:33][CH:45]([CH:46]([CH2:34][CH:27]=[CH:32][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])[OH:58])[OH:57])=[O:60])[CH2:41][O:64][C:52]([CH2:37][CH2:25][CH2:17][CH2:12][CH2:15][CH2:23][CH2:35][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([CH:47]([CH2:29][CH2:6][CH3:3])[OH:59])[O:67]2)[O:66]1)=[O:61])=[O:56] |
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