| Properties | Image |
|---|
| MNX_ID | MNXM1182922 |
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| reference | envipathM:...f5f1a7215207 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WQTYWBVDCUDYTN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-23-30-44(58)53(61)65-40(38-63-51(59)36-27-21-18-20-25-33-45-46(66-45)35-28-31-42(56)41(55)6-3)39-64-54(62)52(60)43(57)29-24-22-26-34-48-50(68-48)37-49-47(67-49)32-8-5-2/h10-11,13-14,28,31,40-50,52,55-58,60H,4-9,12,15-27,29-30,32-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-10-11-12-13-14-15-16-17-19-23-30-44(58)53(61)65-40(38-63-51(59)36-27-21-18-20-25-33-45-46(66-45)35-28-31-42(56)41(55)6-3)39-64-54(62)52(60)43(57)29-24-22-26-34-48-50(68-48)37-49-47(67-49)32-8-5-2/h10-11,13-14,28,31,40-50,52,55-58,60H,4-9,12,15-27,29-30,32-39H2,1-3H3/b11-10?,14-13?,31-28?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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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][CH2:23][CH2:30][CH:44]([C:53](=[O:61])[O:65][CH:40]([CH2:38][O:63][C:51]([CH2:36][CH2:27][CH2:21][CH2:18][CH2:20][CH2:25][CH2:33][CH:45]1[CH:46]([CH2:35][CH:28]=[CH:31][CH:42]([CH:41]([CH2:6][CH3:3])[OH:55])[OH:56])[O:66]1)=[O:59])[CH2:39][O:64][C:54]([CH:52]([CH:43]([CH2:29][CH2:24][CH2:22][CH2:26][CH2:34][CH:48]1[CH:50]([CH2:37][CH:49]2[CH:47]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[O:68]1)[OH:57])[OH:60])=[O:62])[OH:58] |
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