| Properties | Image |
|---|
| MNX_ID | MNXM1192512 |
 |
| reference | envipathM:...caef1f94b846 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | NECJNYHYZSIIKI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-36-53(60)63-42(40-61-51(58)34-28-24-19-21-26-32-47-50(65-47)39-49-46(64-49)31-8-5-2)41-62-52(59)35-29-25-20-22-27-33-48-54(66-48)45(57)38-37-44(56)43(55)6-3/h10-11,13-14,37-38,42,44-50,54,56-57H,4-9,12,15-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CC(O)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-36-53(60)63-42(40-61-51(58)34-28-24-19-21-26-32-47-50(65-47)39-49-46(64-49)31-8-5-2)41-62-52(59)35-29-25-20-22-27-33-48-54(66-48)45(57)38-37-44(56)43(55)6-3/h10-11,13-14,37-38,42,44-50,54,56-57H,4-9,12,15-36,39-41H2,1-3H3/b11-10?,14-13?,38-37?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:36][C:53](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:51]([CH2:34][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:32][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:58])[CH2:41][O:62][C:52]([CH2:35][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:33][CH:48]1[CH:54]([CH:45]([CH:38]=[CH:37][CH:44]([C:43]([CH2:6][CH3:3])=[O:55])[OH:56])[OH:57])[O:66]1)=[O:59] |
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