| Properties | Image |
|---|
| MNX_ID | MNXM1183259 |
 |
| reference | envipathM:...3fd13bcbc2fa |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | TVHUPSHUBPMAFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-32-48-50(66-48)39-51-49(67-51)34-22-18-17-20-31-45(58)54(61)63-41-44(64-53(60)37-24-15-11-9-7-6-8-10-13-19-28-42(56)27-4-2)40-62-52(59)36-23-16-12-14-21-33-46-47(65-46)35-25-29-43(57)30-26-38-55/h8,10,19,25,28-29,42-51,55-58H,3-7,9,11-18,20-24,26-27,30-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-32-48-50(66-48)39-51-49(67-51)34-22-18-17-20-31-45(58)54(61)63-41-44(64-53(60)37-24-15-11-9-7-6-8-10-13-19-28-42(56)27-4-2)40-62-52(59)36-23-16-12-14-21-33-46-47(65-46)35-25-29-43(57)30-26-38-55/h8,10,19,25,28-29,42-51,55-58H,3-7,9,11-18,20-24,26-27,30-41H2,1-2H3/b10-8?,28-19?,29-25?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:22][CH2:18][CH2:17][CH2:20][CH2:31][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:52]([CH2:36][CH2:23][CH2:16][CH2:12][CH2:14][CH2:21][CH2:33][CH:46]3[CH:47]([CH2:35][CH:25]=[CH:29][CH:43]([CH2:30][CH2:26][CH2:38][OH:55])[OH:57])[O:65]3)=[O:59])[O:64][C:53]([CH2:37][CH2:24][CH2:15][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:13][CH:19]=[CH:28][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])=[O:60])[OH:58])[O:67]2)[O:66]1 |
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