| Properties | Image |
|---|
| MNX_ID | MNXM1174998 |
 |
| reference | envipathM:...da22e7cdae77 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | IUXKTZKPWSQMHY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-28-35-51(60)64-42(39-62-50(59)34-27-22-19-20-26-33-47-52(66-47)44(57)37-36-41(55)29-6-3)40-63-54(61)45(58)31-25-23-24-30-43(56)53-49(67-53)38-48-46(65-48)32-8-5-2/h10-11,13-14,36-37,41-49,52-53,55-58H,4-9,12,15-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-28-35-51(60)64-42(39-62-50(59)34-27-22-19-20-26-33-47-52(66-47)44(57)37-36-41(55)29-6-3)40-63-54(61)45(58)31-25-23-24-30-43(56)53-49(67-53)38-48-46(65-48)32-8-5-2/h10-11,13-14,36-37,41-49,52-53,55-58H,4-9,12,15-35,38-40H2,1-3H3/b11-10?,14-13?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:28][CH2:35][C:51](=[O:60])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:34][CH2:27][CH2:22][CH2:19][CH2:20][CH2:26][CH2:33][CH:47]1[CH:52]([CH:44]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:57])[O:66]1)=[O:59])[CH2:40][O:63][C:54]([CH:45]([CH2:31][CH2:25][CH2:23][CH2:24][CH2:30][CH:43]([CH:53]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:65]2)[O:67]1)[OH:56])[OH:58])=[O:61] |
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