| Properties | Image |
|---|
| MNX_ID | MNXM1185875 |
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| reference | envipathM:...f04cae69b27b |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | GLOXKSKXCOEZQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(61)65-43(42-64-54(62)47(59)35-27-21-20-25-33-45(57)44(56)32-24-18-8-6-4-2)41-63-51(60)37-28-23-22-26-34-46(58)53-50(67-53)40-49-48(66-49)36-30-31-39-55/h9-10,12-13,18,24,39,43-50,53,56-59H,3-8,11,14-17,19-23,25-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC=O)COC(=O)C(O)CCCCCCC(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(61)65-43(42-64-54(62)47(59)35-27-21-20-25-33-45(57)44(56)32-24-18-8-6-4-2)41-63-51(60)37-28-23-22-26-34-46(58)53-50(67-53)40-49-48(66-49)36-30-31-39-55/h9-10,12-13,18,24,39,43-50,53,56-59H,3-8,11,14-17,19-23,25-38,40-42H2,1-2H3/b10-9?,13-12?,24-18?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:29][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:23][CH2:22][CH2:26][CH2:34][CH:46]([CH:53]1[CH:50]([CH2:40][CH:49]2[CH:48]([CH2:36][CH2:30][CH2:31][CH:39]=[O:55])[O:66]2)[O:67]1)[OH:58])=[O:60])[CH2:42][O:64][C:54]([CH:47]([CH2:35][CH2:27][CH2:21][CH2:20][CH2:25][CH2:33][CH:45]([CH:44]([CH2:32][CH:24]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:57])[OH:59])=[O:62] |
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