| Properties | Image |
|---|
| MNX_ID | MNXM1139196 |
 |
| reference | envipathM:...c1b89c63a359 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | PLYJLXZMIFJEIU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-31-38-51(60)65-42(40-63-49(58)36-29-23-20-21-28-35-47-54(67-47)53(62)44(56)32-26-8-5-2)41-64-50(59)37-30-25-24-27-33-43(55)52(61)45(57)39-48-46(66-48)34-9-6-3/h11-12,14-15,42-48,52-57,61-62H,4-10,13,16-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C(O)CCCCC)COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-11-12-13-14-15-16-17-18-19-22-31-38-51(60)65-42(40-63-49(58)36-29-23-20-21-28-35-47-54(67-47)53(62)44(56)32-26-8-5-2)41-64-50(59)37-30-25-24-27-33-43(55)52(61)45(57)39-48-46(66-48)34-9-6-3/h11-12,14-15,42-48,52-57,61-62H,4-10,13,16-41H2,1-3H3/b12-11?,15-14?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:31][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:49]([CH2:36][CH2:29][CH2:23][CH2:20][CH2:21][CH2:28][CH2:35][CH:47]1[CH:54]([CH:53]([CH:44]([CH2:32][CH2:26][CH2:8][CH2:5][CH3:2])[OH:56])[OH:62])[O:67]1)=[O:58])[CH2:41][O:64][C:50]([CH2:37][CH2:30][CH2:25][CH2:24][CH2:27][CH2:33][CH:43]([CH:52]([CH:45]([CH2:39][CH:48]1[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:57])[OH:61])[OH:55])=[O:59] |
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