| Properties | Image |
|---|
| MNX_ID | MNXM1181659 |
 |
| reference | envipathM:...065081de2b3c |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | YRKUPGQCBHMVDC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-14-20-28-44(57)45(58)29-21-19-27-35-54(61)64-43(40-62-52(59)33-25-17-11-15-23-31-47-46(65-47)30-22-13-8-6-4-2)41-63-53(60)34-26-18-12-16-24-32-48-50(66-48)38-51-49(67-51)37-36-42(56)39-55/h9-10,13,20,22,28,43-51,55,57-58H,3-8,11-12,14-19,21,23-27,29-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCC(=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-14-20-28-44(57)45(58)29-21-19-27-35-54(61)64-43(40-62-52(59)33-25-17-11-15-23-31-47-46(65-47)30-22-13-8-6-4-2)41-63-53(60)34-26-18-12-16-24-32-48-50(66-48)38-51-49(67-51)37-36-42(56)39-55/h9-10,13,20,22,28,43-51,55,57-58H,3-8,11-12,14-19,21,23-27,29-41H2,1-2H3/b10-9?,22-13?,28-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:14][CH:20]=[CH:28][CH:44]([CH:45]([CH2:29][CH2:21][CH2:19][CH2:27][CH2:35][C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:33][CH2:25][CH2:17][CH2:11][CH2:15][CH2:23][CH2:31][CH:47]1[CH:46]([CH2:30][CH:22]=[CH:13][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:34][CH2:26][CH2:18][CH2:12][CH2:16][CH2:24][CH2:32][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:37][CH2:36][C:42]([CH2:39][OH:55])=[O:56])[O:67]2)[O:66]1)=[O:60])[OH:58])[OH:57] |
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