| Properties | Image |
|---|
| MNX_ID | MNXM1138219 |
 |
| reference | envipathM:...32ec99eaac07 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | AKWUVVDPNKULPU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-10-11-13-20-28-41(55)29-21-16-19-26-37-53(60)64-42(39-62-52(59)36-25-15-12-14-23-33-46-47(65-46)35-27-31-44(57)43(56)6-3)40-63-54(61)45(58)30-22-17-18-24-34-49-51(67-49)38-50-48(66-50)32-8-5-2/h10-11,20,27-28,31,41-44,46-51,55-57H,4-9,12-19,21-26,29-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(O)CC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-10-11-13-20-28-41(55)29-21-16-19-26-37-53(60)64-42(39-62-52(59)36-25-15-12-14-23-33-46-47(65-46)35-27-31-44(57)43(56)6-3)40-63-54(61)45(58)30-22-17-18-24-34-49-51(67-49)38-50-48(66-50)32-8-5-2/h10-11,20,27-28,31,41-44,46-51,55-57H,4-9,12-19,21-26,29-30,32-40H2,1-3H3/b11-10?,28-20?,31-27?/t41?,42?,43?,44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:13][CH:20]=[CH:28][CH:41]([CH2:29][CH2:21][CH2:16][CH2:19][CH2:26][CH2:37][C:53](=[O:60])[O:64][CH:42]([CH2:39][O:62][C:52]([CH2:36][CH2:25][CH2:15][CH2:12][CH2:14][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:35][CH:27]=[CH:31][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])[O:65]1)=[O:59])[CH2:40][O:63][C:54]([C:45]([CH2:30][CH2:22][CH2:17][CH2:18][CH2:24][CH2:34][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:58])=[O:61])[OH:55] |
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