| Properties | Image |
|---|
| MNX_ID | MNXM1185299 |
 |
| reference | envipathM:...7ca39a84a1f7 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | GEFFQGPBPQRZHB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-4-31-47-49(66-47)39-50-48(67-50)34-25-16-12-20-27-36-52(59)63-41-43(64-53(60)37-28-18-10-8-6-5-7-9-14-22-30-44(57)54(61)42(2)56)40-62-51(58)35-26-19-11-15-23-32-45-46(65-45)33-24-17-13-21-29-38-55/h17,22,24,30,42-50,54-57,61H,3-16,18-21,23,25-29,31-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCCCCC=CC(O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-4-31-47-49(66-47)39-50-48(67-50)34-25-16-12-20-27-36-52(59)63-41-43(64-53(60)37-28-18-10-8-6-5-7-9-14-22-30-44(57)54(61)42(2)56)40-62-51(58)35-26-19-11-15-23-32-45-46(65-45)33-24-17-13-21-29-38-55/h17,22,24,30,42-50,54-57,61H,3-16,18-21,23,25-29,31-41H2,1-2H3/b24-17?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:31][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:25][CH2:16][CH2:12][CH2:20][CH2:27][CH2:36][C:52](=[O:59])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:51]([CH2:35][CH2:26][CH2:19][CH2:11][CH2:15][CH2:23][CH2:32][CH:45]3[CH:46]([CH2:33][CH:24]=[CH:17][CH2:13][CH2:21][CH2:29][CH2:38][OH:55])[O:65]3)=[O:58])[O:64][C:53]([CH2:37][CH2:28][CH2:18][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:14][CH:22]=[CH:30][CH:44]([CH:54]([CH:42]([CH3:2])[OH:56])[OH:61])[OH:57])=[O:60])[O:67]2)[O:66]1 |
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