| Properties | Image |
|---|
| MNX_ID | MNXM1172691 |
 |
| reference | envipathM:...e50d4329f3f1 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | YIXJDCUUGPBDKV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-37-52(61)64-43(41-63-51(60)36-25-21-20-22-31-44(57)53-47(66-53)34-27-30-42(56)29-4-2)40-62-50(59)35-24-19-16-17-23-33-46-48(65-46)39-49-54(67-49)45(58)32-28-38-55/h7-8,10-11,27,30,38,42-49,53-54,56-58H,3-6,9,12-26,28-29,31-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC=O)COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-37-52(61)64-43(41-63-51(60)36-25-21-20-22-31-44(57)53-47(66-53)34-27-30-42(56)29-4-2)40-62-50(59)35-24-19-16-17-23-33-46-48(65-46)39-49-54(67-49)45(58)32-28-38-55/h7-8,10-11,27,30,38,42-49,53-54,56-58H,3-6,9,12-26,28-29,31-37,39-41H2,1-2H3/b8-7?,11-10?,30-27?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:26][CH2:37][C:52](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:33][CH:46]1[CH:48]([CH2:39][CH:49]2[CH:54]([CH:45]([CH2:32][CH2:28][CH:38]=[O:55])[OH:58])[O:67]2)[O:65]1)=[O:59])[CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:21][CH2:20][CH2:22][CH2:31][CH:44]([CH:53]1[CH:47]([CH2:34][CH:27]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:66]1)[OH:57])=[O:60] |
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