| Properties | Image |
|---|
| MNX_ID | MNXM1179096 |
 |
| reference | envipathM:...10a1d647c86c |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | DLSYWHZGXBXNOI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-16-11-18-26-37-52(58)61-41-44(63-54(60)45(57)32-22-15-10-9-14-21-31-43(56)30-20-8-6-4-2)42-62-53(59)38-27-19-12-17-25-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h13,20-21,23,30-31,44,46-51,55H,3-12,14-19,22,24-29,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)C(=O)CCCCCCC=CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-16-11-18-26-37-52(58)61-41-44(63-54(60)45(57)32-22-15-10-9-14-21-31-43(56)30-20-8-6-4-2)42-62-53(59)38-27-19-12-17-25-35-48-50(65-48)40-51-49(66-51)36-28-29-39-55/h13,20-21,23,30-31,44,46-51,55H,3-12,14-19,22,24-29,32-42H2,1-2H3/b23-13?,30-20?,31-21?/t44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:16][CH2:11][CH2:18][CH2:26][CH2:37][C:52](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:53]([CH2:38][CH2:27][CH2:19][CH2:12][CH2:17][CH2:25][CH2:35][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:36][CH2:28][CH2:29][CH2:39][OH:55])[O:66]3)[O:65]2)=[O:59])[O:63][C:54]([C:45]([CH2:32][CH2:22][CH2:15][CH2:10][CH2:9][CH2:14][CH:21]=[CH:31][C:43]([CH:30]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])=[O:57])=[O:60])[O:64]1 |
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