| Properties | Image |
|---|
| MNX_ID | MNXM1190968 |
 |
| reference | envipathM:...93e68945c5b9 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | RIDPYZKCTJCCNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-38-53(60)63-42(40-61-51(58)36-27-23-18-20-25-33-46-47(64-46)35-30-32-44(56)43(55)6-3)41-62-52(59)37-28-24-19-21-26-34-48-49(65-48)39-50-54(66-50)45(57)31-5-2/h9-10,12-13,30,32,42-44,46-50,54-56H,4-8,11,14-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-38-53(60)63-42(40-61-51(58)36-27-23-18-20-25-33-46-47(64-46)35-30-32-44(56)43(55)6-3)41-62-52(59)37-28-24-19-21-26-34-48-49(65-48)39-50-54(66-50)45(57)31-5-2/h9-10,12-13,30,32,42-44,46-50,54-56H,4-8,11,14-29,31,33-41H2,1-3H3/b10-9?,13-12?,32-30?/t42?,43?,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][CH2:38][C:53](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:51]([CH2:36][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:33][CH:46]1[CH:47]([CH2:35][CH:30]=[CH:32][CH:44]([CH:43]([CH2:6][CH3:3])[OH:55])[OH:56])[O:64]1)=[O:58])[CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:34][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([C:45]([CH2:31][CH2:5][CH3:2])=[O:57])[O:66]2)[O:65]1)=[O:59] |
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