| Properties | Image |
|---|
| MNX_ID | MNXM1171997 |
 |
| reference | envipathM:...fb1b4c13a228 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | PMPBQAQRPCYKIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-21-26-32-43(55)52(58)54(60)63-42(40-61-51(57)38-31-23-19-22-29-36-46-45(64-46)35-28-20-11-8-5-2)41-62-53(59)44(56)33-27-24-25-30-37-48-50(66-48)39-49-47(65-49)34-9-6-3/h12-13,15-16,20,28,42-50,55-56H,4-11,14,17-19,21-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-21-26-32-43(55)52(58)54(60)63-42(40-61-51(57)38-31-23-19-22-29-36-46-45(64-46)35-28-20-11-8-5-2)41-62-53(59)44(56)33-27-24-25-30-37-48-50(66-48)39-49-47(65-49)34-9-6-3/h12-13,15-16,20,28,42-50,55-56H,4-11,14,17-19,21-27,29-41H2,1-3H3/b13-12?,16-15?,28-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
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| 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][CH2:26][CH2:32][CH:43]([C:52]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:51]([CH2:38][CH2:31][CH2:23][CH2:19][CH2:22][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:57])[CH2:41][O:62][C:53]([CH:44]([CH2:33][CH2:27][CH2:24][CH2:25][CH2:30][CH2:37][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:56])=[O:59])=[O:58])[OH:55] |
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