| Properties | Image |
|---|
| MNX_ID | MNXM1177916 |
 |
| reference | envipathM:...7186a791c87e |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | HZGLJDPGCRWONZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-25-32-47(60)54(63)66-41(39-64-52(61)37-28-21-18-20-24-30-44(57)45(58)34-29-33-43(56)42(55)6-3)40-65-53(62)46(59)31-26-22-23-27-36-49-51(68-49)38-50-48(67-50)35-8-5-2/h10-11,13-14,29,33,41-51,55-60H,4-9,12,15-28,30-32,34-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-25-32-47(60)54(63)66-41(39-64-52(61)37-28-21-18-20-24-30-44(57)45(58)34-29-33-43(56)42(55)6-3)40-65-53(62)46(59)31-26-22-23-27-36-49-51(68-49)38-50-48(67-50)35-8-5-2/h10-11,13-14,29,33,41-51,55-60H,4-9,12,15-28,30-32,34-40H2,1-3H3/b11-10?,14-13?,33-29?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:25][CH2:32][CH:47]([C:54](=[O:63])[O:66][CH:41]([CH2:39][O:64][C:52]([CH2:37][CH2:28][CH2:21][CH2:18][CH2:20][CH2:24][CH2:30][CH:44]([CH:45]([CH2:34][CH:29]=[CH:33][CH:43]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])[OH:57])=[O:61])[CH2:40][O:65][C:53]([CH:46]([CH2:31][CH2:26][CH2:22][CH2:23][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:35][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:59])=[O:62])[OH:60] |
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