| Properties | Image |
|---|
| MNX_ID | MNXM1182571 |
 |
| reference | envipathM:...018019040ead |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | PFQHKXOTJPRGRY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-20-30-43(56)31-21-14-10-9-11-17-27-38-53(61)65-44(41-63-51(59)36-25-18-12-15-23-33-46(58)54(62)45(57)32-22-8-6-4-2)42-64-52(60)37-26-19-13-16-24-34-47-49(66-47)40-50-48(67-50)35-28-29-39-55/h20-22,30-32,44-50,54-55,57-58,62H,3-19,23-29,33-42H2,1-2H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-20-30-43(56)31-21-14-10-9-11-17-27-38-53(61)65-44(41-63-51(59)36-25-18-12-15-23-33-46(58)54(62)45(57)32-22-8-6-4-2)42-64-52(60)37-26-19-13-16-24-34-47-49(66-47)40-50-48(67-50)35-28-29-39-55/h20-22,30-32,44-50,54-55,57-58,62H,3-19,23-29,33-42H2,1-2H3/b30-20?,31-21?,32-22?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:30][C:43]([CH:31]=[CH:21][CH2:14][CH2:10][CH2:9][CH2:11][CH2:17][CH2:27][CH2:38][C:53](=[O:61])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:18][CH2:12][CH2:15][CH2:23][CH2:33][CH:46]([CH:54]([CH:45]([CH:32]=[CH:22][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:62])[OH:58])=[O:59])[CH2:42][O:64][C:52]([CH2:37][CH2:26][CH2:19][CH2:13][CH2:16][CH2:24][CH2:34][CH:47]1[CH:49]([CH2:40][CH:50]2[CH:48]([CH2:35][CH2:28][CH2:29][CH2:39][OH:55])[O:67]2)[O:66]1)=[O:60])=[O:56] |
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