| Properties | Image |
|---|
| MNX_ID | MNXM1179106 |
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| reference | envipathM:...307bb6d264b3 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | ZIRKZZIMMXFFOO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-21-26-34-44(57)54(61)64-41(39-62-48(58)38-31-23-19-22-29-36-46-45(65-46)35-28-20-10-8-5-2)40-63-53(60)43(56)33-27-24-25-30-37-47-51(66-47)49(59)52-50(67-52)42(55)32-6-3/h14-15,20,28,41-47,49-52,55-57,59H,4-13,16-19,21-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-21-26-34-44(57)54(61)64-41(39-62-48(58)38-31-23-19-22-29-36-46-45(65-46)35-28-20-10-8-5-2)40-63-53(60)43(56)33-27-24-25-30-37-47-51(66-47)49(59)52-50(67-52)42(55)32-6-3/h14-15,20,28,41-47,49-52,55-57,59H,4-13,16-19,21-27,29-40H2,1-3H3/b15-14?,28-20?/t41?,42?,43?,44?,45?,46?,47?,49?,50?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:26][CH2:34][CH:44]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:48]([CH2:38][CH2:31][CH2:23][CH2:19][CH2:22][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:20][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:53]([CH:43]([CH2:33][CH2:27][CH2:24][CH2:25][CH2:30][CH2:37][CH:47]1[CH:51]([CH:49]([CH:52]2[CH:50]([CH:42]([CH2:32][CH2:6][CH3:3])[OH:55])[O:67]2)[OH:59])[O:66]1)[OH:56])=[O:60])[OH:57] |
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