| Properties | Image |
|---|
| MNX_ID | MNXM1179876 |
 |
| reference | envipathM:...f6dd94a0922f |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XXZBEICOFGRCGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-11-20-30-46-47(65-46)31-21-13-10-15-23-34-52(59)62-40-44(64-53(60)35-24-14-9-7-8-12-18-28-43(57)37-36-42(56)27-4-2)41-63-54(61)45(58)29-19-16-17-22-32-48-50(66-48)39-51-49(67-51)33-25-26-38-55/h11,18,20,28,36-37,43-51,55,57-58H,3-10,12-17,19,21-27,29-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-11-20-30-46-47(65-46)31-21-13-10-15-23-34-52(59)62-40-44(64-53(60)35-24-14-9-7-8-12-18-28-43(57)37-36-42(56)27-4-2)41-63-54(61)45(58)29-19-16-17-22-32-48-50(66-48)39-51-49(67-51)33-25-26-38-55/h11,18,20,28,36-37,43-51,55,57-58H,3-10,12-17,19,21-27,29-35,38-41H2,1-2H3/b20-11?,28-18?,37-36?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:11]=[CH:20][CH2:30][CH:46]1[CH:47]([CH2:31][CH2:21][CH2:13][CH2:10][CH2:15][CH2:23][CH2:34][C:52](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:54]([CH:45]([CH2:29][CH2:19][CH2:16][CH2:17][CH2:22][CH2:32][CH:48]2[CH:50]([CH2:39][CH:51]3[CH:49]([CH2:33][CH2:25][CH2:26][CH2:38][OH:55])[O:67]3)[O:66]2)[OH:58])=[O:61])[O:64][C:53]([CH2:35][CH2:24][CH2:14][CH2:9][CH2:7][CH2:8][CH2:12][CH:18]=[CH:28][CH:43]([CH:37]=[CH:36][C:42]([CH2:27][CH2:4][CH3:2])=[O:56])[OH:57])=[O:60])[O:65]1 |
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