| Properties | Image |
|---|
| MNX_ID | MNXM1321590 |
 |
| reference | envipathM:...c500f71496ae |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | OANCEBFUYBBTPH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-26-37-53(62)66-43(40-64-51(60)35-24-20-15-17-22-30-44(57)45(58)31-29-32-46(59)54(63)42(2)56)41-65-52(61)36-25-21-16-18-23-33-47-49(67-47)39-50-48(68-50)34-27-28-38-55/h6-7,9-10,29,32,42-50,54-59,63H,3-5,8,11-28,30-31,33-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CC(O)C(O)C(C)O)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-26-37-53(62)66-43(40-64-51(60)35-24-20-15-17-22-30-44(57)45(58)31-29-32-46(59)54(63)42(2)56)41-65-52(61)36-25-21-16-18-23-33-47-49(67-47)39-50-48(68-50)34-27-28-38-55/h6-7,9-10,29,32,42-50,54-59,63H,3-5,8,11-28,30-31,33-41H2,1-2H3/b7-6?,10-9?,32-29?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:19][CH2:26][CH2:37][C:53](=[O:62])[O:66][CH:43]([CH2:40][O:64][C:51]([CH2:35][CH2:24][CH2:20][CH2:15][CH2:17][CH2:22][CH2:30][CH:44]([CH:45]([CH2:31][CH:29]=[CH:32][CH:46]([CH:54]([CH:42]([CH3:2])[OH:56])[OH:63])[OH:59])[OH:58])[OH:57])=[O:60])[CH2:41][O:65][C:52]([CH2:36][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:33][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:27][CH2:28][CH2:38][OH:55])[O:68]2)[O:67]1)=[O:61] |
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