| Properties | Image |
|---|
| MNX_ID | MNXM1195456 |
 |
| reference | envipathM:...ec7358ae04e3 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | OBARHMJXTXDZHM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(59)64-43(42-63-54(61)45(56)34-27-25-26-30-36-48-47(65-48)35-28-21-10-8-5-2)41-62-51(58)38-31-24-20-22-29-37-49-50(66-49)40-46(57)53(60)44(55)33-6-3/h11-12,14-15,21,28,43-44,46-50,55,57H,4-10,13,16-20,22-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)C(O)CCC)COC(=O)C(=O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(59)64-43(42-63-54(61)45(56)34-27-25-26-30-36-48-47(65-48)35-28-21-10-8-5-2)41-62-51(58)38-31-24-20-22-29-37-49-50(66-49)40-46(57)53(60)44(55)33-6-3/h11-12,14-15,21,28,43-44,46-50,55,57H,4-10,13,16-20,22-27,29-42H2,1-3H3/b12-11?,15-14?,28-21?/t43?,44?,46?,47?,48?,49?,50? |
 |
| 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][CH2:23][CH2:32][CH2:39][C:52](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:22][CH2:29][CH2:37][CH:49]1[CH:50]([CH2:40][CH:46]([C:53]([CH:44]([CH2:33][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])[O:66]1)=[O:58])[CH2:42][O:63][C:54]([C:45]([CH2:34][CH2:27][CH2:25][CH2:26][CH2:30][CH2:36][CH:48]1[CH:47]([CH2:35][CH:28]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])=[O:61] |
|