| Properties | Image |
|---|
| MNX_ID | MNXM1173723 |
 |
| reference | envipathM:...076d3de2101f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | DPXUGHNHZPPYFS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-35-52(61)64-43(40-62-50(59)33-25-20-17-18-24-32-47-53(66-47)45(58)37-36-42(56)29-28-38-55)41-63-51(60)34-26-22-21-23-30-44(57)54-49(67-54)39-48-46(65-48)31-6-4-2/h8-9,11-12,36-37,42-49,53-58H,3-7,10,13-35,38-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCCO)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-35-52(61)64-43(40-62-50(59)33-25-20-17-18-24-32-47-53(66-47)45(58)37-36-42(56)29-28-38-55)41-63-51(60)34-26-22-21-23-30-44(57)54-49(67-54)39-48-46(65-48)31-6-4-2/h8-9,11-12,36-37,42-49,53-58H,3-7,10,13-35,38-41H2,1-2H3/b9-8?,12-11?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:27][CH2:35][C:52](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:50]([CH2:33][CH2:25][CH2:20][CH2:17][CH2:18][CH2:24][CH2:32][CH:47]1[CH:53]([CH:45]([CH:37]=[CH:36][CH:42]([CH2:29][CH2:28][CH2:38][OH:55])[OH:56])[OH:58])[O:66]1)=[O:59])[CH2:41][O:63][C:51]([CH2:34][CH2:26][CH2:22][CH2:21][CH2:23][CH2:30][CH:44]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:31][CH2:6][CH2:4][CH3:2])[O:65]2)[O:67]1)[OH:57])=[O:60] |
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