| Properties | Image |
|---|
| MNX_ID | MNXM1181290 |
 |
| reference | envipathM:...4c3f9ea1883d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PAYGUYBQHNFPPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-15-21-29-42(55)43(56)30-24-20-28-37-52(59)64-41(39-62-53(60)44(57)31-22-16-18-26-35-47-46(65-47)34-25-14-11-8-5-2)40-63-54(61)45(58)32-23-17-19-27-36-49-51(67-49)38-50-48(66-50)33-9-6-3/h12-14,21,25,29,41-44,46-51,55-57H,4-11,15-20,22-24,26-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-15-21-29-42(55)43(56)30-24-20-28-37-52(59)64-41(39-62-53(60)44(57)31-22-16-18-26-35-47-46(65-47)34-25-14-11-8-5-2)40-63-54(61)45(58)32-23-17-19-27-36-49-51(67-49)38-50-48(66-50)33-9-6-3/h12-14,21,25,29,41-44,46-51,55-57H,4-11,15-20,22-24,26-28,30-40H2,1-3H3/b13-12?,25-14?,29-21?/t41?,42?,43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:21]=[CH:29][CH:42]([CH:43]([CH2:30][CH2:24][CH2:20][CH2:28][CH2:37][C:52](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:53]([CH:44]([CH2:31][CH2:22][CH2:16][CH2:18][CH2:26][CH2:35][CH:47]1[CH:46]([CH2:34][CH:25]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:57])=[O:60])[CH2:40][O:63][C:54]([C:45]([CH2:32][CH2:23][CH2:17][CH2:19][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:58])=[O:61])[OH:56])[OH:55] |
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