| Properties | Image |
|---|
| MNX_ID | MNXM1175722 |
 |
| reference | envipathM:...ccbe3e338bed |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | DFNYHBLQMPYHKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-28-37-52(60)64-42(39-62-50(58)35-26-21-18-19-25-33-45-46(65-45)34-29-31-43(56)53(61)41(3)55)40-63-51(59)36-27-23-22-24-30-44(57)54-49(67-54)38-48-47(66-48)32-7-5-2/h9-10,12-13,41-49,53-57,61H,4-8,11,14-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCC(O)C(O)C(C)O)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-28-37-52(60)64-42(39-62-50(58)35-26-21-18-19-25-33-45-46(65-45)34-29-31-43(56)53(61)41(3)55)40-63-51(59)36-27-23-22-24-30-44(57)54-49(67-54)38-48-47(66-48)32-7-5-2/h9-10,12-13,41-49,53-57,61H,4-8,11,14-40H2,1-3H3/b10-9?,13-12?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:28][CH2:37][C:52](=[O:60])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:35][CH2:26][CH2:21][CH2:18][CH2:19][CH2:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:29][CH2:31][CH:43]([CH:53]([CH:41]([CH3:3])[OH:55])[OH:61])[OH:56])[O:65]1)=[O:58])[CH2:40][O:63][C:51]([CH2:36][CH2:27][CH2:23][CH2:22][CH2:24][CH2:30][CH:44]([CH:54]1[CH:49]([CH2:38][CH:48]2[CH:47]([CH2:32][CH2:7][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:57])=[O:59] |
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