| Properties | Image |
|---|
| MNX_ID | MNXM1178637 |
 |
| reference | envipathM:...8308b5112573 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | RZLFLZSCACTVGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-10-12-13-17-23-32-45(57)54(64)46(58)33-28-29-38-53(63)67-42(41-66-52(62)37-27-21-15-19-25-35-50-49(68-50)34-24-16-11-8-5-2)40-65-51(61)36-26-20-14-18-22-31-44(56)48(60)39-47(59)43(55)30-9-6-3/h12-13,16,23-24,32,42-50,54-60,64H,4-11,14-15,17-22,25-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)C(O)CCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)CCCC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-10-12-13-17-23-32-45(57)54(64)46(58)33-28-29-38-53(63)67-42(41-66-52(62)37-27-21-15-19-25-35-50-49(68-50)34-24-16-11-8-5-2)40-65-51(61)36-26-20-14-18-22-31-44(56)48(60)39-47(59)43(55)30-9-6-3/h12-13,16,23-24,32,42-50,54-60,64H,4-11,14-15,17-22,25-31,33-41H2,1-3H3/b13-12?,24-16?,32-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:23]=[CH:32][CH:45]([CH:54]([CH:46]([CH2:33][CH2:28][CH2:29][CH2:38][C:53](=[O:63])[O:67][CH:42]([CH2:40][O:65][C:51]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:18][CH2:22][CH2:31][CH:44]([CH:48]([CH2:39][CH:47]([CH:43]([CH2:30][CH2:9][CH2:6][CH3:3])[OH:55])[OH:59])[OH:60])[OH:56])=[O:61])[CH2:41][O:66][C:52]([CH2:37][CH2:27][CH2:21][CH2:15][CH2:19][CH2:25][CH2:35][CH:50]1[CH:49]([CH2:34][CH:24]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:68]1)=[O:62])[OH:58])[OH:64])[OH:57] |
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