| Properties | Image |
|---|
| MNX_ID | MNXM1173270 |
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| reference | envipathM:...b34152243c5d |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QSCBNUBGIDELHF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-35-46(59)54(63)66-41(40-65-53(62)45(58)34-28-24-27-33-43(56)51-48(67-51)36-29-20-11-8-5-2)39-64-50(61)37-30-23-22-25-32-44(57)52-49(68-52)38-47(60)42(55)31-9-6-3/h12-13,15-16,20,29,41-49,51-52,55-60H,4-11,14,17-19,21-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-12-13-14-15-16-17-18-19-21-26-35-46(59)54(63)66-41(40-65-53(62)45(58)34-28-24-27-33-43(56)51-48(67-51)36-29-20-11-8-5-2)39-64-50(61)37-30-23-22-25-32-44(57)52-49(68-52)38-47(60)42(55)31-9-6-3/h12-13,15-16,20,29,41-49,51-52,55-60H,4-11,14,17-19,21-28,30-40H2,1-3H3/b13-12?,16-15?,29-20?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:26][CH2:35][CH:46]([C:54](=[O:63])[O:66][CH:41]([CH2:39][O:64][C:50]([CH2:37][CH2:30][CH2:23][CH2:22][CH2:25][CH2:32][CH:44]([CH:52]1[CH:49]([CH2:38][CH:47]([CH:42]([CH2:31][CH2:9][CH2:6][CH3:3])[OH:55])[OH:60])[O:68]1)[OH:57])=[O:61])[CH2:40][O:65][C:53]([CH:45]([CH2:34][CH2:28][CH2:24][CH2:27][CH2:33][CH:43]([CH:51]1[CH:48]([CH2:36][CH:29]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:56])[OH:58])=[O:62])[OH:59] |
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