| Properties | Image |
|---|
| MNX_ID | MNXM1184508 |
 |
| reference | envipathM:...11404dfabc7a |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | HYXSMELQYZEXEH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-16-27-36-49-54(66-49)46(57)34-25-21-22-29-38-52(60)63-42-44(64-53(61)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-62-51(59)37-28-20-15-18-26-35-48-50(65-48)40-47(58)45(56)33-9-6-3/h16,23-24,27,31-32,43-44,46,48-50,54-55,57H,4-15,17-22,25-26,28-30,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(=O)C(=O)CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-16-27-36-49-54(66-49)46(57)34-25-21-22-29-38-52(60)63-42-44(64-53(61)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-62-51(59)37-28-20-15-18-26-35-48-50(65-48)40-47(58)45(56)33-9-6-3/h16,23-24,27,31-32,43-44,46,48-50,54-55,57H,4-15,17-22,25-26,28-30,33-42H2,1-3H3/b27-16?,31-23?,32-24?/t43?,44?,46?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:27][CH2:36][CH:49]1[CH:54]([CH:46]([CH2:34][CH2:25][CH2:21][CH2:22][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH2:42][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:40][C:47]([C:45]([CH2:33][CH2:9][CH2:6][CH3:3])=[O:56])=[O:58])[O:65]2)=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:61])[OH:57])[O:66]1 |
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