| Properties | Image |
|---|
| MNX_ID | MNXM1197834 |
 |
| reference | envipathM:...27cfb7eb50f5 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | ALDZWBXILLVWMM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-38-50(60)66-41(39-64-48(58)36-27-22-19-20-26-34-45-46(67-45)35-30-32-43(56)42(55)6-3)40-65-49(59)37-28-24-23-25-31-44(57)51(61)52(62)53(63)54-47(68-54)33-8-5-2/h10-11,13-14,30,32,41-47,51-57,61-63H,4-9,12,15-29,31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)CCCCCCC(O)C(O)C(O)C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-38-50(60)66-41(39-64-48(58)36-27-22-19-20-26-34-45-46(67-45)35-30-32-43(56)42(55)6-3)40-65-49(59)37-28-24-23-25-31-44(57)51(61)52(62)53(63)54-47(68-54)33-8-5-2/h10-11,13-14,30,32,41-47,51-57,61-63H,4-9,12,15-29,31,33-40H2,1-3H3/b11-10?,14-13?,32-30?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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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][CH2:18][CH2:21][CH2:29][CH2:38][C:50](=[O:60])[O:66][CH:41]([CH2:39][O:64][C:48]([CH2:36][CH2:27][CH2:22][CH2:19][CH2:20][CH2:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH:30]=[CH:32][CH:43]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:56])[O:67]1)=[O:58])[CH2:40][O:65][C:49]([CH2:37][CH2:28][CH2:24][CH2:23][CH2:25][CH2:31][CH:44]([CH:51]([CH:52]([CH:53]([CH:54]1[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:68]1)[OH:63])[OH:62])[OH:61])[OH:57])=[O:59] |
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