| Properties | Image |
|---|
| MNX_ID | MNXM1186388 |
 |
| reference | envipathM:...82e30134d774 |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | NEVRLLXREFMNOJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-40-53(60)63-44(42-61-51(58)38-31-26-20-23-29-36-46(56)45(55)35-28-22-10-8-5-2)43-62-52(59)39-32-27-21-24-30-37-48-49(64-48)41-50-54(65-50)47(57)34-6-3/h11-12,14-15,22,28,44-45,48-50,54-55H,4-10,13,16-21,23-27,29-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-40-53(60)63-44(42-61-51(58)38-31-26-20-23-29-36-46(56)45(55)35-28-22-10-8-5-2)43-62-52(59)39-32-27-21-24-30-37-48-49(64-48)41-50-54(65-50)47(57)34-6-3/h11-12,14-15,22,28,44-45,48-50,54-55H,4-10,13,16-21,23-27,29-43H2,1-3H3/b12-11?,15-14?,28-22?/t44?,45?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:25][CH2:33][CH2:40][C:53](=[O:60])[O:63][CH:44]([CH2:42][O:61][C:51]([CH2:38][CH2:31][CH2:26][CH2:20][CH2:23][CH2:29][CH2:36][C:46]([CH:45]([CH2:35][CH:28]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:58])[CH2:43][O:62][C:52]([CH2:39][CH2:32][CH2:27][CH2:21][CH2:24][CH2:30][CH2:37][CH:48]1[CH:49]([CH2:41][CH:50]2[CH:54]([C:47]([CH2:34][CH2:6][CH3:3])=[O:57])[O:65]2)[O:64]1)=[O:59] |
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