| Properties | Image |
|---|
| MNX_ID | MNXM1183014 |
 |
| reference | envipathM:...3f911f23e542 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | YVIKUWHSORRHGO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-8-16-26-35-49-50(68-49)36-27-20-15-22-29-38-52(62)66-41-43(67-54(64)46(58)34-25-18-13-11-9-10-12-17-23-32-42(55)30-5-2)40-65-51(61)37-28-21-14-19-24-33-44(56)47(59)39-48(60)53(63)45(57)31-6-3/h10,12,16,23,26,32,42-50,53,55-60,63H,4-9,11,13-15,17-22,24-25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)C(O)CCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-8-16-26-35-49-50(68-49)36-27-20-15-22-29-38-52(62)66-41-43(67-54(64)46(58)34-25-18-13-11-9-10-12-17-23-32-42(55)30-5-2)40-65-51(61)37-28-21-14-19-24-33-44(56)47(59)39-48(60)53(63)45(57)31-6-3/h10,12,16,23,26,32,42-50,53,55-60,63H,4-9,11,13-15,17-22,24-25,27-31,33-41H2,1-3H3/b12-10?,26-16?,32-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:16]=[CH:26][CH2:35][CH:49]1[CH:50]([CH2:36][CH2:27][CH2:20][CH2:15][CH2:22][CH2:29][CH2:38][C:52](=[O:62])[O:66][CH2:41][CH:43]([CH2:40][O:65][C:51]([CH2:37][CH2:28][CH2:21][CH2:14][CH2:19][CH2:24][CH2:33][CH:44]([CH:47]([CH2:39][CH:48]([CH:53]([CH:45]([CH2:31][CH2:6][CH3:3])[OH:57])[OH:63])[OH:60])[OH:59])[OH:56])=[O:61])[O:67][C:54]([CH:46]([CH2:34][CH2:25][CH2:18][CH2:13][CH2:11][CH2:9][CH:10]=[CH:12][CH2:17][CH:23]=[CH:32][CH:42]([CH2:30][CH2:5][CH3:2])[OH:55])[OH:58])=[O:64])[O:68]1 |
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