| Properties | Image |
|---|
| MNX_ID | MNXM1192169 |
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| reference | envipathM:...fa7a96652e5f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | ZBXIBKGEDRIZJC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-26-35-47(58)54-50(67-54)36-28-21-19-24-30-38-52(62)65-43-44(66-53(63)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-64-51(61)37-29-23-18-20-27-34-46(57)49(60)41-48(59)45(56)33-6-4-2/h8-9,13,15,26,35,44,46-50,54-55,57-60H,3-7,10-12,14,16-25,27-34,36-43H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(=O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-26-35-47(58)54-50(67-54)36-28-21-19-24-30-38-52(62)65-43-44(66-53(63)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-64-51(61)37-29-23-18-20-27-34-46(57)49(60)41-48(59)45(56)33-6-4-2/h8-9,13,15,26,35,44,46-50,54-55,57-60H,3-7,10-12,14,16-25,27-34,36-43H2,1-2H3/b9-8?,15-13?,35-26?/t44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:26]=[CH:35][CH:47]([CH:54]1[CH:50]([CH2:36][CH2:28][CH2:21][CH2:19][CH2:24][CH2:30][CH2:38][C:52](=[O:62])[O:65][CH2:43][CH:44]([CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:23][CH2:18][CH2:20][CH2:27][CH2:34][CH:46]([CH:49]([CH2:41][CH:48]([C:45]([CH2:33][CH2:6][CH2:4][CH3:2])=[O:56])[OH:59])[OH:60])[OH:57])=[O:61])[O:66][C:53]([CH2:39][CH2:31][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:63])[O:67]1)[OH:58] |
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