| Properties | Image |
|---|
| MNX_ID | MNXM1138914 |
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| reference | envipathM:...2a3a8d09db68 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | DPULLSWFSOYEJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-8-20-32-46-47(65-46)33-21-9-7-10-22-35-51(59)62-40-44(64-53(61)37-24-13-11-16-29-43(57)30-18-15-17-28-42(56)27-4-2)41-63-52(60)36-23-14-12-19-31-45(58)54-50(67-54)39-49-48(66-49)34-25-26-38-55/h8,17-18,20,28,30,42-50,54-58H,3-7,9-16,19,21-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-8-20-32-46-47(65-46)33-21-9-7-10-22-35-51(59)62-40-44(64-53(61)37-24-13-11-16-29-43(57)30-18-15-17-28-42(56)27-4-2)41-63-52(60)36-23-14-12-19-31-45(58)54-50(67-54)39-49-48(66-49)34-25-26-38-55/h8,17-18,20,28,30,42-50,54-58H,3-7,9-16,19,21-27,29,31-41H2,1-2H3/b20-8?,28-17?,30-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:8]=[CH:20][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:21][CH2:9][CH2:7][CH2:10][CH2:22][CH2:35][C:51](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:52]([CH2:36][CH2:23][CH2:14][CH2:12][CH2:19][CH2:31][CH:45]([CH:54]2[CH:50]([CH2:39][CH:49]3[CH:48]([CH2:34][CH2:25][CH2:26][CH2:38][OH:55])[O:66]3)[O:67]2)[OH:58])=[O:60])[O:64][C:53]([CH2:37][CH2:24][CH2:13][CH2:11][CH2:16][CH2:29][CH:43]([CH:30]=[CH:18][CH2:15][CH:17]=[CH:28][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[OH:57])=[O:61])[O:65]1 |
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