| Properties | Image |
|---|
| MNX_ID | MNXM1172818 |
 |
| reference | envipathM:...9d50402726d3 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | QRMFIWYBJNUAAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-52(59)62-43(40-60-50(57)33-24-19-16-17-22-30-44-48(63-44)39-49-45(64-49)31-27-28-38-55)41-61-51(58)34-25-21-20-23-32-46-53-54(66-53)47(65-46)37-36-42(56)29-4-2/h7-8,10-11,36-37,42-49,53-56H,3-6,9,12-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC1OC(C=CC(O)CCC)C2OC12 |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-35-52(59)62-43(40-60-50(57)33-24-19-16-17-22-30-44-48(63-44)39-49-45(64-49)31-27-28-38-55)41-61-51(58)34-25-21-20-23-32-46-53-54(66-53)47(65-46)37-36-42(56)29-4-2/h7-8,10-11,36-37,42-49,53-56H,3-6,9,12-35,38-41H2,1-2H3/b8-7?,11-10?,37-36?/t42?,43?,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][CH2:18][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH:43]([CH2:40][O:60][C:50]([CH2:33][CH2:24][CH2:19][CH2:16][CH2:17][CH2:22][CH2:30][CH:44]1[CH:48]([CH2:39][CH:49]2[CH:45]([CH2:31][CH2:27][CH2:28][CH2:38][OH:55])[O:64]2)[O:63]1)=[O:57])[CH2:41][O:61][C:51]([CH2:34][CH2:25][CH2:21][CH2:20][CH2:23][CH2:32][CH:46]1[CH:53]2[CH:54]([CH:47]([CH:37]=[CH:36][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:65]1)[O:66]2)=[O:58] |
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