| Properties | Image |
|---|
| MNX_ID | MNXM1137967 |
 |
| reference | envipathM:...3b6741bef830 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | VJFJRMUCNNCUSO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-10-15-26-35-49-54(68-49)46(58)34-25-19-21-28-37-51(62)66-41-43(67-52(63)38-29-17-14-12-13-16-23-31-42(55)30-22-11-8-5-2)40-65-50(61)36-27-20-18-24-33-45(57)53(64)48(60)39-47(59)44(56)32-9-6-3/h15,22-23,26,30-31,42-49,53-60,64H,4-14,16-21,24-25,27-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(O)CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-10-15-26-35-49-54(68-49)46(58)34-25-19-21-28-37-51(62)66-41-43(67-52(63)38-29-17-14-12-13-16-23-31-42(55)30-22-11-8-5-2)40-65-50(61)36-27-20-18-24-33-45(57)53(64)48(60)39-47(59)44(56)32-9-6-3/h15,22-23,26,30-31,42-49,53-60,64H,4-14,16-21,24-25,27-29,32-41H2,1-3H3/b26-15?,30-22?,31-23?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:26][CH2:35][CH:49]1[CH:54]([CH:46]([CH2:34][CH2:25][CH2:19][CH2:21][CH2:28][CH2:37][C:51](=[O:62])[O:66][CH2:41][CH:43]([CH2:40][O:65][C:50]([CH2:36][CH2:27][CH2:20][CH2:18][CH2:24][CH2:33][CH:45]([CH:53]([CH:48]([CH2:39][CH:47]([CH:44]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:56])[OH:59])[OH:60])[OH:64])[OH:57])=[O:61])[O:67][C:52]([CH2:38][CH2:29][CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:23]=[CH:31][CH:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:63])[OH:58])[O:68]1 |
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