| Properties | Image |
|---|
| MNX_ID | MNXM1173156 |
 |
| reference | envipathM:...7f6000c45b49 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ZIIRMJRUJFOGMP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-20-26-33-44(58)54(62)65-40(39-64-53(61)43(57)32-27-21-23-29-35-46-45(66-46)34-28-19-10-8-5-2)38-63-49(59)36-30-24-22-25-31-42(56)51-47(67-51)37-48-52(68-48)50(60)41(55)6-3/h11-12,14-15,19,28,40-48,50-52,55-58,60H,4-10,13,16-18,20-27,29-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-20-26-33-44(58)54(62)65-40(39-64-53(61)43(57)32-27-21-23-29-35-46-45(66-46)34-28-19-10-8-5-2)38-63-49(59)36-30-24-22-25-31-42(56)51-47(67-51)37-48-52(68-48)50(60)41(55)6-3/h11-12,14-15,19,28,40-48,50-52,55-58,60H,4-10,13,16-18,20-27,29-39H2,1-3H3/b12-11?,15-14?,28-19?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
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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][CH2:20][CH2:26][CH2:33][CH:44]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:49]([CH2:36][CH2:30][CH2:24][CH2:22][CH2:25][CH2:31][CH:42]([CH:51]1[CH:47]([CH2:37][CH:48]2[CH:52]([CH:50]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:60])[O:68]2)[O:67]1)[OH:56])=[O:59])[CH2:39][O:64][C:53]([CH:43]([CH2:32][CH2:27][CH2:21][CH2:23][CH2:29][CH2:35][CH:46]1[CH:45]([CH2:34][CH:28]=[CH:19][CH2:10][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:57])=[O:61])[OH:58] |
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