| Properties | Image |
|---|
| MNX_ID | MNXM1191809 |
 |
| reference | envipathM:...6b6f9cbce978 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XGSYBPDMSZRJAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-37-53(61)64-42(40-62-51(59)35-24-19-16-17-23-32-46-47(65-46)34-29-31-44(57)43(56)4-2)41-63-52(60)36-25-21-20-22-30-45(58)54-50(67-54)39-49-48(66-49)33-27-28-38-55/h7-8,10-11,29,31,42,44-50,54-55,57-58H,3-6,9,12-28,30,32-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(=O)CC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-37-53(61)64-42(40-62-51(59)35-24-19-16-17-23-32-46-47(65-46)34-29-31-44(57)43(56)4-2)41-63-52(60)36-25-21-20-22-30-45(58)54-50(67-54)39-49-48(66-49)33-27-28-38-55/h7-8,10-11,29,31,42,44-50,54-55,57-58H,3-6,9,12-28,30,32-41H2,1-2H3/b8-7?,11-10?,31-29?/t42?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| 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][CH2:18][CH2:26][CH2:37][C:53](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:35][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:32][CH:46]1[CH:47]([CH2:34][CH:29]=[CH:31][CH:44]([C:43]([CH2:4][CH3:2])=[O:56])[OH:57])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:36][CH2:25][CH2:21][CH2:20][CH2:22][CH2:30][CH:45]([CH:54]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:33][CH2:27][CH2:28][CH2:38][OH:55])[O:66]2)[O:67]1)[OH:58])=[O:60] |
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