| Properties | Image |
|---|
| MNX_ID | MNXM1180948 |
 |
| reference | envipathM:...d1627fea8f47 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JGQVWWPUGXXRPG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-30-37-50(59)64-41(40-63-54(61)45(58)34-27-22-24-29-36-47-51(66-47)43(56)32-25-10-8-5-2)39-62-53(60)44(57)33-26-21-23-28-35-46-48(65-46)38-49-52(67-49)42(55)31-6-3/h11-12,14-15,25,32,41-49,51-52,55-58H,4-10,13,16-24,26-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)C(O)CCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-30-37-50(59)64-41(40-63-54(61)45(58)34-27-22-24-29-36-47-51(66-47)43(56)32-25-10-8-5-2)39-62-53(60)44(57)33-26-21-23-28-35-46-48(65-46)38-49-52(67-49)42(55)31-6-3/h11-12,14-15,25,32,41-49,51-52,55-58H,4-10,13,16-24,26-31,33-40H2,1-3H3/b12-11?,15-14?,32-25?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:30][CH2:37][C:50](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:53]([CH:44]([CH2:33][CH2:26][CH2:21][CH2:23][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:38][CH:49]2[CH:52]([CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])[O:67]2)[O:65]1)[OH:57])=[O:60])[CH2:40][O:63][C:54]([CH:45]([CH2:34][CH2:27][CH2:22][CH2:24][CH2:29][CH2:36][CH:47]1[CH:51]([CH:43]([CH:32]=[CH:25][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:66]1)[OH:58])=[O:61] |
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