| Properties | Image |
|---|
| MNX_ID | MNXM1197715 |
 |
| reference | envipathM:...fb92e31e7a3f |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | FIQJTQPLCIODSR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-28-35-46(58)54(62)65-42(40-63-51(59)38-31-23-20-22-30-37-48-50(67-48)39-49-47(66-49)36-9-6-3)41-64-53(61)45(57)34-29-25-24-27-33-44(56)52(60)43(55)32-26-11-8-5-2/h15-16,26,32,42-50,52,55-58,60H,4-14,17-25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-28-35-46(58)54(62)65-42(40-63-51(59)38-31-23-20-22-30-37-48-50(67-48)39-49-47(66-49)36-9-6-3)41-64-53(61)45(57)34-29-25-24-27-33-44(56)52(60)43(55)32-26-11-8-5-2/h15-16,26,32,42-50,52,55-58,60H,4-14,17-25,27-31,33-41H2,1-3H3/b16-15?,32-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:28][CH2:35][CH:46]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:51]([CH2:38][CH2:31][CH2:23][CH2:20][CH2:22][CH2:30][CH2:37][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:59])[CH2:41][O:64][C:53]([CH:45]([CH2:34][CH2:29][CH2:25][CH2:24][CH2:27][CH2:33][CH:44]([CH:52]([CH:43]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])[OH:56])[OH:57])=[O:61])[OH:58] |
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