| Properties | Image |
|---|
| MNX_ID | MNXM1195958 |
 |
| reference | envipathM:...42ff2050adc6 |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | BXHVJTCVEQYTGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-3-5-7-19-27-35-46-47(63-46)36-28-21-17-23-30-38-52(57)60-42-44(62-54(59)45(56)33-26-20-15-13-11-9-8-10-12-14-16-25-32-40-55)43-61-53(58)39-31-24-18-22-29-37-49-51(65-49)41-50-48(64-50)34-6-4-2/h8-9,44-51,55-56H,3-7,10-43H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-3-5-7-19-27-35-46-47(63-46)36-28-21-17-23-30-38-52(57)60-42-44(62-54(59)45(56)33-26-20-15-13-11-9-8-10-12-14-16-25-32-40-55)43-61-53(58)39-31-24-18-22-29-37-49-51(65-49)41-50-48(64-50)34-6-4-2/h8-9,44-51,55-56H,3-7,10-43H2,1-2H3/b9-8?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:27][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:21][CH2:17][CH2:23][CH2:30][CH2:38][C:52](=[O:57])[O:60][CH2:42][CH:44]([CH2:43][O:61][C:53]([CH2:39][CH2:31][CH2:24][CH2:18][CH2:22][CH2:29][CH2:37][CH:49]2[CH:51]([CH2:41][CH:50]3[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:62][C:54]([CH:45]([CH2:33][CH2:26][CH2:20][CH2:15][CH2:13][CH2:11][CH:9]=[CH:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:25][CH2:32][CH2:40][OH:55])[OH:56])=[O:59])[O:63]1 |
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