| Properties | Image |
|---|
| MNX_ID | MNXM1177611 |
 |
| reference | envipathM:...572d81852e17 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RKUVYCVNRWUANC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-21-26-33-43(57)54(62)65-40(38-63-47(58)37-31-23-19-22-29-35-45-44(66-45)34-28-20-10-8-5-2)39-64-53(61)42(56)32-27-24-25-30-36-46-50(67-46)49(60)52-51(68-52)48(59)41(55)6-3/h11-12,14-15,20,28,40-46,48-52,55-57,59-60H,4-10,13,16-19,21-27,29-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-21-26-33-43(57)54(62)65-40(38-63-47(58)37-31-23-19-22-29-35-45-44(66-45)34-28-20-10-8-5-2)39-64-53(61)42(56)32-27-24-25-30-36-46-50(67-46)49(60)52-51(68-52)48(59)41(55)6-3/h11-12,14-15,20,28,40-46,48-52,55-57,59-60H,4-10,13,16-19,21-27,29-39H2,1-3H3/b12-11?,15-14?,28-20?/t40?,41?,42?,43?,44?,45?,46?,48?,49?,50?,51?,52? |
 |
| 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][CH2:21][CH2:26][CH2:33][CH:43]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:47]([CH2:37][CH2:31][CH2:23][CH2:19][CH2:22][CH2:29][CH2:35][CH:45]1[CH:44]([CH2:34][CH:28]=[CH:20][CH2:10][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:58])[CH2:39][O:64][C:53]([CH:42]([CH2:32][CH2:27][CH2:24][CH2:25][CH2:30][CH2:36][CH:46]1[CH:50]([CH:49]([CH:52]2[CH:51]([CH:48]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:59])[O:68]2)[OH:60])[O:67]1)[OH:56])=[O:61])[OH:57] |
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