| Properties | Image |
|---|
| MNX_ID | MNXM1176690 |
 |
| reference | envipathM:...418abc9770b5 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | LQFQWNJVKDOITN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-20-29-43(56)30-21-14-10-11-15-23-33-47(59)54(62)65-44(40-63-52(60)37-25-18-12-16-22-32-45(57)46(58)34-27-31-42(55)28-6-3)41-64-53(61)38-26-19-13-17-24-36-49-51(67-49)39-50-48(66-50)35-8-5-2/h20,27,29,31,42-51,55-59H,4-19,21-26,28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)CCCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-20-29-43(56)30-21-14-10-11-15-23-33-47(59)54(62)65-44(40-63-52(60)37-25-18-12-16-22-32-45(57)46(58)34-27-31-42(55)28-6-3)41-64-53(61)38-26-19-13-17-24-36-49-51(67-49)39-50-48(66-50)35-8-5-2/h20,27,29,31,42-51,55-59H,4-19,21-26,28,30,32-41H2,1-3H3/b29-20?,31-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:29][CH:43]([CH2:30][CH2:21][CH2:14][CH2:10][CH2:11][CH2:15][CH2:23][CH2:33][CH:47]([C:54](=[O:62])[O:65][CH:44]([CH2:40][O:63][C:52]([CH2:37][CH2:25][CH2:18][CH2:12][CH2:16][CH2:22][CH2:32][CH:45]([CH:46]([CH2:34][CH:27]=[CH:31][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:58])[OH:57])=[O:60])[CH2:41][O:64][C:53]([CH2:38][CH2:26][CH2:19][CH2:13][CH2:17][CH2:24][CH2:36][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:61])[OH:59])[OH:56] |
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