| Properties | Image |
|---|
| MNX_ID | MNXM1185992 |
 |
| reference | envipathM:...275c3af198d0 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QJIAMAVWEDOMSK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-28-37-51(62)66-42(40-64-49(60)35-27-21-20-24-33-45(58)53-48(68-53)39-46(59)43(56)31-6-4-2)41-65-50(61)36-29-23-25-32-44(57)52(63)54-47(67-54)34-26-18-17-22-30-38-55/h8-9,11-12,18,26,42-48,52-59,63H,3-7,10,13-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)CCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-28-37-51(62)66-42(40-64-49(60)35-27-21-20-24-33-45(58)53-48(68-53)39-46(59)43(56)31-6-4-2)41-65-50(61)36-29-23-25-32-44(57)52(63)54-47(67-54)34-26-18-17-22-30-38-55/h8-9,11-12,18,26,42-48,52-59,63H,3-7,10,13-17,19-25,27-41H2,1-2H3/b9-8?,12-11?,26-18?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:28][CH2:37][C:51](=[O:62])[O:66][CH:42]([CH2:40][O:64][C:49]([CH2:35][CH2:27][CH2:21][CH2:20][CH2:24][CH2:33][CH:45]([CH:53]1[CH:48]([CH2:39][CH:46]([CH:43]([CH2:31][CH2:6][CH2:4][CH3:2])[OH:56])[OH:59])[O:68]1)[OH:58])=[O:60])[CH2:41][O:65][C:50]([CH2:36][CH2:29][CH2:23][CH2:25][CH2:32][CH:44]([CH:52]([CH:54]1[CH:47]([CH2:34][CH:26]=[CH:18][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])[O:67]1)[OH:63])[OH:57])=[O:61] |
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