| Properties | Image |
|---|
| MNX_ID | MNXM1182614 |
 |
| reference | envipathM:...08b98edb781c |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | QDRSZQYRMLPXFY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-36-53(60)63-44(40-61-51(58)34-27-23-18-20-25-32-46-48(64-46)38-43(56)37-42(55)30-5-2)41-62-52(59)35-28-24-19-21-26-33-47-49(65-47)39-50-54(66-50)45(57)31-6-3/h9-10,12-13,43-44,46-50,54,56H,4-8,11,14-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)CC(=O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-36-53(60)63-44(40-61-51(58)34-27-23-18-20-25-32-46-48(64-46)38-43(56)37-42(55)30-5-2)41-62-52(59)35-28-24-19-21-26-33-47-49(65-47)39-50-54(66-50)45(57)31-6-3/h9-10,12-13,43-44,46-50,54,56H,4-8,11,14-41H2,1-3H3/b10-9?,13-12?/t43?,44?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:29][CH2:36][C:53](=[O:60])[O:63][CH:44]([CH2:40][O:61][C:51]([CH2:34][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:32][CH:46]1[CH:48]([CH2:38][CH:43]([CH2:37][C:42]([CH2:30][CH2:5][CH3:2])=[O:55])[OH:56])[O:64]1)=[O:58])[CH2:41][O:62][C:52]([CH2:35][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:33][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:54]([C:45]([CH2:31][CH2:6][CH3:3])=[O:57])[O:66]2)[O:65]1)=[O:59] |
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