| Properties | Image |
|---|
| MNX_ID | MNXM1181393 |
 |
| reference | envipathM:...2c30f235c484 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | HHTFYBBUJROMPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(60)65-43(41-63-53(61)45(57)33-25-20-22-28-36-49-48(66-49)35-27-18-17-24-31-39-55)42-64-54(62)46(58)34-26-21-23-29-37-50-51(67-50)40-47(59)44(56)32-6-4-2/h8-9,11-12,18,27,43-51,55-59H,3-7,10,13-17,19-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO)COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(60)65-43(41-63-53(61)45(57)33-25-20-22-28-36-49-48(66-49)35-27-18-17-24-31-39-55)42-64-54(62)46(58)34-26-21-23-29-37-50-51(67-50)40-47(59)44(56)32-6-4-2/h8-9,11-12,18,27,43-51,55-59H,3-7,10,13-17,19-26,28-42H2,1-2H3/b9-8?,12-11?,27-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:53]([CH:45]([CH2:33][CH2:25][CH2:20][CH2:22][CH2:28][CH2:36][CH:49]1[CH:48]([CH2:35][CH:27]=[CH:18][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])[O:66]1)[OH:57])=[O:61])[CH2:42][O:64][C:54]([CH:46]([CH2:34][CH2:26][CH2:21][CH2:23][CH2:29][CH2:37][CH:50]1[CH:51]([CH2:40][CH:47]([CH:44]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:56])[OH:59])[O:67]1)[OH:58])=[O:62] |
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