| Properties | Image |
|---|
| MNX_ID | MNXM1174305 |
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| reference | envipathM:...8caf02529b40 |
| formula | C54H92O11 |
| global charge | 0 |
| mol weight | 917.319 |
| InChIKey | WPRFCGNQGJLHMC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O11/c1-3-5-33-48-50(64-48)41-51-49(65-51)36-26-17-13-21-28-38-53(58)61-43-45(62-54(59)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)42-60-52(57)37-27-20-12-16-24-34-46-47(63-46)35-25-18-14-22-30-40-55/h8,10,18,25,45-51,55H,3-7,9,11-17,19-24,26-43H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCC=CCCCC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O11/c1-3-5-33-48-50(64-48)41-51-49(65-51)36-26-17-13-21-28-38-53(58)61-43-45(62-54(59)39-29-19-11-9-7-6-8-10-15-23-32-44(56)31-4-2)42-60-52(57)37-27-20-12-16-24-34-46-47(63-46)35-25-18-14-22-30-40-55/h8,10,18,25,45-51,55H,3-7,9,11-17,19-24,26-43H2,1-2H3/b10-8?,25-18?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:36][CH2:26][CH2:17][CH2:13][CH2:21][CH2:28][CH2:38][C:53](=[O:58])[O:61][CH2:43][CH:45]([CH2:42][O:60][C:52]([CH2:37][CH2:27][CH2:20][CH2:12][CH2:16][CH2:24][CH2:34][CH:46]3[CH:47]([CH2:35][CH:25]=[CH:18][CH2:14][CH2:22][CH2:30][CH2:40][OH:55])[O:63]3)=[O:57])[O:62][C:54]([CH2:39][CH2:29][CH2:19][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:15][CH2:23][CH2:32][C:44]([CH2:31][CH2:4][CH3:2])=[O:56])=[O:59])[O:65]2)[O:64]1 |
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