| Properties | Image |
|---|
| MNX_ID | MNXM1178663 |
 |
| reference | envipathM:...6bf34c673608 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | YXUQVQBVRLAZMB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-12-23-33-45-46(65-45)34-24-14-11-15-25-35-50(58)62-40-43(64-52(60)37-26-17-16-21-30-42(56)29-20-13-9-8-10-18-28-38-55)41-63-51(59)36-27-19-22-31-44(57)53(61)54-49(67-54)39-48-47(66-48)32-6-4-2/h8-9,12,20,23,29,42-43,45-49,53-56,61H,3-7,10-11,13-19,21-22,24-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(=O)C(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-12-23-33-45-46(65-45)34-24-14-11-15-25-35-50(58)62-40-43(64-52(60)37-26-17-16-21-30-42(56)29-20-13-9-8-10-18-28-38-55)41-63-51(59)36-27-19-22-31-44(57)53(61)54-49(67-54)39-48-47(66-48)32-6-4-2/h8-9,12,20,23,29,42-43,45-49,53-56,61H,3-7,10-11,13-19,21-22,24-28,30-41H2,1-2H3/b9-8?,23-12?,29-20?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:24][CH2:14][CH2:11][CH2:15][CH2:25][CH2:35][C:50](=[O:58])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:51]([CH2:36][CH2:27][CH2:19][CH2:22][CH2:31][C:44]([CH:53]([CH:54]2[CH:49]([CH2:39][CH:48]3[CH:47]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)[OH:61])=[O:57])=[O:59])[O:64][C:52]([CH2:37][CH2:26][CH2:17][CH2:16][CH2:21][CH2:30][CH:42]([CH:29]=[CH:20][CH2:13][CH:9]=[CH:8][CH2:10][CH2:18][CH2:28][CH2:38][OH:55])[OH:56])=[O:60])[O:65]1 |
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