| Properties | Image |
|---|
| MNX_ID | MNXM1189419 |
 |
| reference | envipathM:...4a1cb5688dfe |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | GRDHYVXERYAGHS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-21-25-31-41(55)48(59)54(62)65-40(39-64-53(61)43(57)33-27-24-26-32-42(56)50-44(66-50)35-28-20-11-8-5-2)38-63-47(58)37-30-23-19-22-29-36-46-52(68-46)49(60)51-45(67-51)34-9-6-3/h12-13,15-16,20,28,40-46,48-52,55-57,59-60H,4-11,14,17-19,21-27,29-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-21-25-31-41(55)48(59)54(62)65-40(39-64-53(61)43(57)33-27-24-26-32-42(56)50-44(66-50)35-28-20-11-8-5-2)38-63-47(58)37-30-23-19-22-29-36-46-52(68-46)49(60)51-45(67-51)34-9-6-3/h12-13,15-16,20,28,40-46,48-52,55-57,59-60H,4-11,14,17-19,21-27,29-39H2,1-3H3/b13-12?,16-15?,28-20?/t40?,41?,42?,43?,44?,45?,46?,48?,49?,50?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:21][CH2:25][CH2:31][CH:41]([CH:48]([C:54](=[O:62])[O:65][CH:40]([CH2:38][O:63][C:47]([CH2:37][CH2:30][CH2:23][CH2:19][CH2:22][CH2:29][CH2:36][CH:46]1[CH:52]([CH:49]([CH:51]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:67]2)[OH:60])[O:68]1)=[O:58])[CH2:39][O:64][C:53]([CH:43]([CH2:33][CH2:27][CH2:24][CH2:26][CH2:32][CH:42]([CH:50]1[CH:44]([CH2:35][CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])[OH:57])=[O:61])[OH:59])[OH:55] |
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