| Properties | Image |
|---|
| MNX_ID | MNXM1173059 |
 |
| reference | envipathM:...0fbe483577b2 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PZTTWRBJXUNSIV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-31-37-50(59)64-42(40-63-49(58)36-30-25-24-26-32-43(56)53-45(66-53)34-28-20-9-7-5-2)39-62-48(57)35-29-23-19-21-27-33-44-46(65-44)38-47-54(67-47)52(61)51(60)41(3)55/h10-11,13-14,20,28,41-42,44-47,51-55,60-61H,4-9,12,15-19,21-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)C(C)O)COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-6-8-10-11-12-13-14-15-16-17-18-22-31-37-50(59)64-42(40-63-49(58)36-30-25-24-26-32-43(56)53-45(66-53)34-28-20-9-7-5-2)39-62-48(57)35-29-23-19-21-27-33-44-46(65-44)38-47-54(67-47)52(61)51(60)41(3)55/h10-11,13-14,20,28,41-42,44-47,51-55,60-61H,4-9,12,15-19,21-27,29-40H2,1-3H3/b11-10?,14-13?,28-20?/t41?,42?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:22][CH2:31][CH2:37][C:50](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:48]([CH2:35][CH2:29][CH2:23][CH2:19][CH2:21][CH2:27][CH2:33][CH:44]1[CH:46]([CH2:38][CH:47]2[CH:54]([CH:52]([CH:51]([CH:41]([CH3:3])[OH:55])[OH:60])[OH:61])[O:67]2)[O:65]1)=[O:57])[CH2:40][O:63][C:49]([CH2:36][CH2:30][CH2:25][CH2:24][CH2:26][CH2:32][C:43]([CH:53]1[CH:45]([CH2:34][CH:28]=[CH:20][CH2:9][CH2:7][CH2:5][CH3:2])[O:66]1)=[O:56])=[O:58] |
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