| Properties | Image |
|---|
| MNX_ID | MNXM1195311 |
 |
| reference | envipathM:...19c00c52f512 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RTEMDOXJKDBXCW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-12-15-22-30-40(55)31-23-18-21-29-37-48(59)65-41(39-64-54(62)43(57)32-24-19-20-26-34-45-44(66-45)33-25-14-10-8-5-2)38-63-47(58)36-28-17-13-16-27-35-46-51(67-46)50(61)53-52(68-53)49(60)42(56)6-3/h11-12,14,22,25,30,40-46,49-53,55-57,60-61H,4-10,13,15-21,23-24,26-29,31-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-12-15-22-30-40(55)31-23-18-21-29-37-48(59)65-41(39-64-54(62)43(57)32-24-19-20-26-34-45-44(66-45)33-25-14-10-8-5-2)38-63-47(58)36-28-17-13-16-27-35-46-51(67-46)50(61)53-52(68-53)49(60)42(56)6-3/h11-12,14,22,25,30,40-46,49-53,55-57,60-61H,4-10,13,15-21,23-24,26-29,31-39H2,1-3H3/b12-11?,25-14?,30-22?/t40?,41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:22]=[CH:30][CH:40]([CH2:31][CH2:23][CH2:18][CH2:21][CH2:29][CH2:37][C:48](=[O:59])[O:65][CH:41]([CH2:38][O:63][C:47]([CH2:36][CH2:28][CH2:17][CH2:13][CH2:16][CH2:27][CH2:35][CH:46]1[CH:51]([CH:50]([CH:53]2[CH:52]([CH:49]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:60])[O:68]2)[OH:61])[O:67]1)=[O:58])[CH2:39][O:64][C:54]([CH:43]([CH2:32][CH2:24][CH2:19][CH2:20][CH2:26][CH2:34][CH:45]1[CH:44]([CH2:33][CH:25]=[CH:14][CH2:10][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:57])=[O:62])[OH:55] |
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