| Properties | Image |
|---|
| MNX_ID | MNXM1177325 |
 |
| reference | envipathM:...6ef9f93e3884 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | VUPKXKPIHWTWHH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-16-25-33-46-47(65-46)34-27-22-21-24-32-45(58)54(61)63-41-43(64-52(60)37-29-19-14-12-10-8-7-9-11-13-17-23-31-42(56)39-55)40-62-51(59)36-28-20-15-18-26-35-48-49(66-48)38-50-53(67-50)44(57)30-4-2/h7,9,13,16-17,25,42-50,53,55-58H,3-6,8,10-12,14-15,18-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-16-25-33-46-47(65-46)34-27-22-21-24-32-45(58)54(61)63-41-43(64-52(60)37-29-19-14-12-10-8-7-9-11-13-17-23-31-42(56)39-55)40-62-51(59)36-28-20-15-18-26-35-48-49(66-48)38-50-53(67-50)44(57)30-4-2/h7,9,13,16-17,25,42-50,53,55-58H,3-6,8,10-12,14-15,18-24,26-41H2,1-2H3/b9-7?,17-13?,25-16?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:16]=[CH:25][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:27][CH2:22][CH2:21][CH2:24][CH2:32][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:28][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][CH:48]2[CH:49]([CH2:38][CH:50]3[CH:53]([CH:44]([CH2:30][CH2:4][CH3:2])[OH:57])[O:67]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:37][CH2:29][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH:7]=[CH:9][CH2:11][CH:13]=[CH:17][CH2:23][CH2:31][CH:42]([CH2:39][OH:55])[OH:56])=[O:60])[OH:58])[O:65]1 |
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