| Properties | Image |
|---|
| MNX_ID | MNXM1197024 |
 |
| reference | envipathM:...c639441f4e55 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | XMRUTQBDKZKIJI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-23-30-42(55)31-24-16-12-11-13-19-29-38-51(61)65-44(40-63-49(59)36-27-20-14-17-25-33-45(57)46(58)39-43(56)32-22-8-5-2)41-64-50(60)37-28-21-15-18-26-35-48-54(67-48)52(62)53-47(66-53)34-9-6-3/h23-24,30-31,42-45,47-48,52-57,62H,4-22,25-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC(O)CCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-23-30-42(55)31-24-16-12-11-13-19-29-38-51(61)65-44(40-63-49(59)36-27-20-14-17-25-33-45(57)46(58)39-43(56)32-22-8-5-2)41-64-50(60)37-28-21-15-18-26-35-48-54(67-48)52(62)53-47(66-53)34-9-6-3/h23-24,30-31,42-45,47-48,52-57,62H,4-22,25-29,32-41H2,1-3H3/b30-23?,31-24?/t42?,43?,44?,45?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:23]=[CH:30][CH:42]([CH:31]=[CH:24][CH2:16][CH2:12][CH2:11][CH2:13][CH2:19][CH2:29][CH2:38][C:51](=[O:61])[O:65][CH:44]([CH2:40][O:63][C:49]([CH2:36][CH2:27][CH2:20][CH2:14][CH2:17][CH2:25][CH2:33][CH:45]([C:46]([CH2:39][CH:43]([CH2:32][CH2:22][CH2:8][CH2:5][CH3:2])[OH:56])=[O:58])[OH:57])=[O:59])[CH2:41][O:64][C:50]([CH2:37][CH2:28][CH2:21][CH2:15][CH2:18][CH2:26][CH2:35][CH:48]1[CH:54]([CH:52]([CH:53]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:62])[O:67]1)=[O:60])[OH:55] |
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