| Properties | Image |
|---|
| MNX_ID | MNXM1183916 |
 |
| reference | envipathM:...25f764169961 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | UMRROBBVBZRHAZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-28-37-51(60)64-42(40-62-49(58)35-27-21-16-18-25-33-45-47(65-45)39-48-53(67-48)44(57)31-4-2)41-63-50(59)36-29-23-24-32-43(56)52(61)54-46(66-54)34-26-19-17-22-30-38-55/h7-8,10-11,19,26,42,44-48,52-55,57,61H,3-6,9,12-18,20-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCC(=O)C(O)C1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-28-37-51(60)64-42(40-62-49(58)35-27-21-16-18-25-33-45-47(65-45)39-48-53(67-48)44(57)31-4-2)41-63-50(59)36-29-23-24-32-43(56)52(61)54-46(66-54)34-26-19-17-22-30-38-55/h7-8,10-11,19,26,42,44-48,52-55,57,61H,3-6,9,12-18,20-25,27-41H2,1-2H3/b8-7?,11-10?,26-19?/t42?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:28][CH2:37][C:51](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:49]([CH2:35][CH2:27][CH2:21][CH2:16][CH2:18][CH2:25][CH2:33][CH:45]1[CH:47]([CH2:39][CH:48]2[CH:53]([CH:44]([CH2:31][CH2:4][CH3:2])[OH:57])[O:67]2)[O:65]1)=[O:58])[CH2:41][O:63][C:50]([CH2:36][CH2:29][CH2:23][CH2:24][CH2:32][C:43]([CH:52]([CH:54]1[CH:46]([CH2:34][CH:26]=[CH:19][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])[O:66]1)[OH:61])=[O:56])=[O:59] |
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