| Properties | Image |
|---|
| MNX_ID | MNXM1177265 |
 |
| reference | envipathM:...216a3dd30563 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | PZORKYIJGXJYPV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-19-28-36-49-53(67-49)45(57)33-25-24-26-34-46(58)54(62)64-42-43(65-52(61)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-51(60)37-29-22-18-20-27-35-48-50(66-48)40-47(59)44(56)32-6-4-2/h8-9,13,15,43-50,53,55-59H,3-7,10-12,14,16-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-19-28-36-49-53(67-49)45(57)33-25-24-26-34-46(58)54(62)64-42-43(65-52(61)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-51(60)37-29-22-18-20-27-35-48-50(66-48)40-47(59)44(56)32-6-4-2/h8-9,13,15,43-50,53,55-59H,3-7,10-12,14,16-42H2,1-2H3/b9-8?,15-13?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:28][CH2:36][CH:49]1[CH:53]([CH:45]([CH2:33][CH2:25][CH2:24][CH2:26][CH2:34][CH:46]([C:54](=[O:62])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:22][CH2:18][CH2:20][CH2:27][CH2:35][CH:48]2[CH:50]([CH2:40][CH:47]([CH:44]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:56])[OH:59])[O:66]2)=[O:60])[O:65][C:52]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:23][CH2:31][CH2:39][OH:55])=[O:61])[OH:58])[OH:57])[O:67]1 |
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