| Properties | Image |
|---|
| MNX_ID | MNXM1194210 |
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| reference | envipathM:...e3728b3c7867 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | OQQGQOMKEZFNLS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(61)65-42(40-63-49(59)36-29-23-20-21-27-34-44(56)52(62)43(55)33-26-10-8-5-2)41-64-50(60)37-30-25-24-28-35-46(58)54-48(67-54)39-47-53(66-47)45(57)32-6-3/h11-12,14-15,26,33,42-48,52-58,62H,4-10,13,16-25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(61)65-42(40-63-49(59)36-29-23-20-21-27-34-44(56)52(62)43(55)33-26-10-8-5-2)41-64-50(60)37-30-25-24-28-35-46(58)54-48(67-54)39-47-53(66-47)45(57)32-6-3/h11-12,14-15,26,33,42-48,52-58,62H,4-10,13,16-25,27-32,34-41H2,1-3H3/b12-11?,15-14?,33-26?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][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:61])[O:65][CH:42]([CH2:40][O:63][C:49]([CH2:36][CH2:29][CH2:23][CH2:20][CH2:21][CH2:27][CH2:34][CH:44]([CH:52]([CH:43]([CH:33]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:62])[OH:56])=[O:59])[CH2:41][O:64][C:50]([CH2:37][CH2:30][CH2:25][CH2:24][CH2:28][CH2:35][CH:46]([CH:54]1[CH:48]([CH2:39][CH:47]2[CH:53]([CH:45]([CH2:32][CH2:6][CH3:3])[OH:57])[O:66]2)[O:67]1)[OH:58])=[O:60] |
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