| Properties | Image |
|---|
| MNX_ID | MNXM1190749 |
 |
| reference | envipathM:...bb898005364e |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | XKELBOSSVYMVHV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-52(59)63-43(41-61-50(57)36-29-23-16-19-26-33-45-46(64-45)34-27-21-18-25-32-39-55)42-62-51(58)37-30-24-17-20-28-35-47-48(65-47)40-49-54(66-49)53(60)44(56)4-2/h7-8,10-11,21,27,39,43-49,53-54,56,60H,3-6,9,12-20,22-26,28-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-52(59)63-43(41-61-50(57)36-29-23-16-19-26-33-45-46(64-45)34-27-21-18-25-32-39-55)42-62-51(58)37-30-24-17-20-28-35-47-48(65-47)40-49-54(66-49)53(60)44(56)4-2/h7-8,10-11,21,27,39,43-49,53-54,56,60H,3-6,9,12-20,22-26,28-38,40-42H2,1-2H3/b8-7?,11-10?,27-21?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:22][CH2:31][CH2:38][C:52](=[O:59])[O:63][CH:43]([CH2:41][O:61][C:50]([CH2:36][CH2:29][CH2:23][CH2:16][CH2:19][CH2:26][CH2:33][CH:45]1[CH:46]([CH2:34][CH:27]=[CH:21][CH2:18][CH2:25][CH2:32][CH:39]=[O:55])[O:64]1)=[O:57])[CH2:42][O:62][C:51]([CH2:37][CH2:30][CH2:24][CH2:17][CH2:20][CH2:28][CH2:35][CH:47]1[CH:48]([CH2:40][CH:49]2[CH:54]([CH:53]([CH:44]([CH2:4][CH3:2])[OH:56])[OH:60])[O:66]2)[O:65]1)=[O:58] |
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