| Properties | Image |
|---|
| MNX_ID | MNXM1189848 |
 |
| reference | envipathM:...3882835f0924 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | LITFIPNPJLGQIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-19-22-30-39-50(58)63-43(41-62-54(60)44(56)33-25-20-21-27-36-46-45(64-46)35-26-15-11-8-5-2)40-61-49(57)38-29-18-14-17-28-37-48-53(66-48)51(59)52-47(65-52)34-9-6-3/h15,26,42-48,51-53,55-56,59H,4-14,16-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCC(O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-19-22-30-39-50(58)63-43(41-62-54(60)44(56)33-25-20-21-27-36-46-45(64-46)35-26-15-11-8-5-2)40-61-49(57)38-29-18-14-17-28-37-48-53(66-48)51(59)52-47(65-52)34-9-6-3/h15,26,42-48,51-53,55-56,59H,4-14,16-25,27-41H2,1-3H3/b26-15?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:16][CH2:23][CH2:31][CH:42]([CH2:32][CH2:24][CH2:19][CH2:22][CH2:30][CH2:39][C:50](=[O:58])[O:63][CH:43]([CH2:40][O:61][C:49]([CH2:38][CH2:29][CH2:18][CH2:14][CH2:17][CH2:28][CH2:37][CH:48]1[CH:53]([CH:51]([CH:52]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:59])[O:66]1)=[O:57])[CH2:41][O:62][C:54]([CH:44]([CH2:33][CH2:25][CH2:20][CH2:21][CH2:27][CH2:36][CH:46]1[CH:45]([CH2:35][CH:26]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)[OH:56])=[O:60])[OH:55] |
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