| Properties | Image |
|---|
| MNX_ID | MNXM1188803 |
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| reference | envipathM:...95cc71d28829 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | XWPUDVIMNVIBSO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(61)64-44(42-62-51(59)37-28-22-18-20-27-36-49-48(65-49)35-26-19-8-6-4-2)43-63-52(60)38-29-24-23-25-34-46(57)54-50(66-54)41-47(58)45(56)33-31-32-40-55/h9-10,12-13,19,26,44-45,48-50,54-56H,3-8,11,14-18,20-25,27-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(=O)C1OC1CC(=O)C(O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-39-53(61)64-44(42-62-51(59)37-28-22-18-20-27-36-49-48(65-49)35-26-19-8-6-4-2)43-63-52(60)38-29-24-23-25-34-46(57)54-50(66-54)41-47(58)45(56)33-31-32-40-55/h9-10,12-13,19,26,44-45,48-50,54-56H,3-8,11,14-18,20-25,27-43H2,1-2H3/b10-9?,13-12?,26-19?/t44?,45?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:39][C:53](=[O:61])[O:64][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:28][CH2:22][CH2:18][CH2:20][CH2:27][CH2:36][CH:49]1[CH:48]([CH2:35][CH:26]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:43][O:63][C:52]([CH2:38][CH2:29][CH2:24][CH2:23][CH2:25][CH2:34][C:46]([CH:54]1[CH:50]([CH2:41][C:47]([CH:45]([CH2:33][CH2:31][CH2:32][CH2:40][OH:55])[OH:56])=[O:58])[O:66]1)=[O:57])=[O:60] |
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