| Properties | Image |
|---|
| MNX_ID | MNXM1174760 |
 |
| reference | envipathM:...317af0d6b4be |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | MVTDTVLRZCVKDB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-6-14-23-33-46-47(64-46)34-24-16-13-18-26-37-52(58)61-41-44(63-53(59)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-62-54(60)45(57)32-22-19-20-25-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h9,11,14,23,39,43-51,56-57H,3-8,10,12-13,15-22,24-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC=O)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-6-14-23-33-46-47(64-46)34-24-16-13-18-26-37-52(58)61-41-44(63-53(59)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-62-54(60)45(57)32-22-19-20-25-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h9,11,14,23,39,43-51,56-57H,3-8,10,12-13,15-22,24-38,40-42H2,1-2H3/b11-9?,23-14?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:16][CH2:13][CH2:18][CH2:26][CH2:37][C:52](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:54]([CH:45]([CH2:32][CH2:22][CH2:19][CH2:20][CH2:25][CH2:35][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:36][CH2:28][CH2:29][CH:39]=[O:55])[O:66]3)[O:65]2)[OH:57])=[O:60])[O:63][C:53]([CH2:38][CH2:27][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH2:21][CH2:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:59])[O:64]1 |
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