| Properties | Image |
|---|
| MNX_ID | MNXM1189890 |
 |
| reference | envipathM:...ebeb67619e97 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | IKTCVQFZXYZHSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-27-37-51(59)64-42(39-62-53(60)44(57)32-23-20-21-26-35-46-47(65-46)36-28-30-41(55)29-6-3)40-63-54(61)45(58)33-25-22-24-31-43(56)52-50(67-52)38-49-48(66-49)34-8-5-2/h10-11,13-14,28,30,41-43,45-50,52,55-56,58H,4-9,12,15-27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-27-37-51(59)64-42(39-62-53(60)44(57)32-23-20-21-26-35-46-47(65-46)36-28-30-41(55)29-6-3)40-63-54(61)45(58)33-25-22-24-31-43(56)52-50(67-52)38-49-48(66-49)34-8-5-2/h10-11,13-14,28,30,41-43,45-50,52,55-56,58H,4-9,12,15-27,29,31-40H2,1-3H3/b11-10?,14-13?,30-28?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:27][CH2:37][C:51](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:53]([C:44]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH:28]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[O:65]1)=[O:57])=[O:60])[CH2:40][O:63][C:54]([CH:45]([CH2:33][CH2:25][CH2:22][CH2:24][CH2:31][CH:43]([CH:52]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:56])[OH:58])=[O:61] |
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