| Properties | Image |
|---|
| MNX_ID | MNXM1175795 |
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| reference | envipathM:...2aba5bc96cf9 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | TXFQRALBSAWIJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-16-25-34-45-46(64-45)35-26-18-15-20-28-37-51(57)61-40-43(63-52(58)38-29-19-14-12-13-17-23-31-42(55)30-22-11-8-5-2)41-62-54(60)53(59)44(56)32-24-21-27-36-48-50(66-48)39-49-47(65-49)33-9-6-3/h22-23,30-31,42-43,45-50,53,55,59H,4-21,24-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)C(O)C(=O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-16-25-34-45-46(64-45)35-26-18-15-20-28-37-51(57)61-40-43(63-52(58)38-29-19-14-12-13-17-23-31-42(55)30-22-11-8-5-2)41-62-54(60)53(59)44(56)32-24-21-27-36-48-50(66-48)39-49-47(65-49)33-9-6-3/h22-23,30-31,42-43,45-50,53,55,59H,4-21,24-29,32-41H2,1-3H3/b30-22?,31-23?/t42?,43?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:16][CH2:25][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:26][CH2:18][CH2:15][CH2:20][CH2:28][CH2:37][C:51](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:54]([CH:53]([C:44]([CH2:32][CH2:24][CH2:21][CH2:27][CH2:36][CH:48]2[CH:50]([CH2:39][CH:49]3[CH:47]([CH2:33][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)=[O:56])[OH:59])=[O:60])[O:63][C:52]([CH2:38][CH2:29][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:23]=[CH:31][CH:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:58])[O:64]1 |
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