| Properties | Image |
|---|
| MNX_ID | MNXM1176600 |
 |
| reference | envipathM:...4820edf3cb6d |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | NOJTZYITWMXYLN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-36-47(59)53(63)67-42(40-65-51(61)38-31-24-20-23-27-34-44(56)43(55)33-26-21-11-8-5-2)41-66-54(64)52(62)46(58)35-29-25-30-37-49-50(68-49)39-48(60)45(57)32-9-6-3/h12-13,15-16,21,26,42-50,52,55-60,62H,4-11,14,17-20,22-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-36-47(59)53(63)67-42(40-65-51(61)38-31-24-20-23-27-34-44(56)43(55)33-26-21-11-8-5-2)41-66-54(64)52(62)46(58)35-29-25-30-37-49-50(68-49)39-48(60)45(57)32-9-6-3/h12-13,15-16,21,26,42-50,52,55-60,62H,4-11,14,17-20,22-25,27-41H2,1-3H3/b13-12?,16-15?,26-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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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][CH2:19][CH2:22][CH2:28][CH2:36][CH:47]([C:53](=[O:63])[O:67][CH:42]([CH2:40][O:65][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:27][CH2:34][CH:44]([CH:43]([CH2:33][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:61])[CH2:41][O:66][C:54]([CH:52]([CH:46]([CH2:35][CH2:29][CH2:25][CH2:30][CH2:37][CH:49]1[CH:50]([CH2:39][CH:48]([CH:45]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:57])[OH:60])[O:68]1)[OH:58])[OH:62])=[O:64])[OH:59] |
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