| Properties | Image |
|---|
| MNX_ID | MNXM1172067 |
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| reference | envipathM:...a41c0130566d |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | SWUHAPSNNFLJRT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-32-46(58)47(59)39-51-50(67-51)34-21-11-9-13-23-37-53(61)64-41-45(65-54(62)38-24-15-14-17-29-44(57)30-19-16-18-28-42(55)26-5-2)40-63-52(60)36-22-12-8-10-20-33-48-49(66-48)35-25-31-43(56)27-6-3/h19,25,30-31,42-51,55-59H,4-18,20-24,26-29,32-41H2,1-3H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCC(O)C=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-32-46(58)47(59)39-51-50(67-51)34-21-11-9-13-23-37-53(61)64-41-45(65-54(62)38-24-15-14-17-29-44(57)30-19-16-18-28-42(55)26-5-2)40-63-52(60)36-22-12-8-10-20-33-48-49(66-48)35-25-31-43(56)27-6-3/h19,25,30-31,42-51,55-59H,4-18,20-24,26-29,32-41H2,1-3H3/b30-19?,31-25?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:32][CH:46]([CH:47]([CH2:39][CH:51]1[CH:50]([CH2:34][CH2:21][CH2:11][CH2:9][CH2:13][CH2:23][CH2:37][C:53](=[O:61])[O:64][CH2:41][CH:45]([CH2:40][O:63][C:52]([CH2:36][CH2:22][CH2:12][CH2:8][CH2:10][CH2:20][CH2:33][CH:48]2[CH:49]([CH2:35][CH:25]=[CH:31][CH:43]([CH2:27][CH2:6][CH3:3])[OH:56])[O:66]2)=[O:60])[O:65][C:54]([CH2:38][CH2:24][CH2:15][CH2:14][CH2:17][CH2:29][CH:44]([CH:30]=[CH:19][CH2:16][CH2:18][CH2:28][CH:42]([CH2:26][CH2:5][CH3:2])[OH:55])[OH:57])=[O:62])[O:67]1)[OH:59])[OH:58] |
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