| Properties | Image |
|---|
| MNX_ID | MNXM1197521 |
 |
| reference | envipathM:...01a91dc6ddac |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WRPKMUHMZQRNKL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-6-19-29-41(56)30-20-11-7-12-21-31-43(57)52(61)54(62)65-42(39-63-50(59)35-25-16-8-13-22-32-45-46(66-45)33-23-15-10-18-27-37-55)40-64-51(60)36-26-17-9-14-24-34-47-48(67-47)38-49-53(68-49)44(58)28-4-2/h15,19-20,23,29-30,41-49,52-53,55-58,61H,3-14,16-18,21-22,24-28,31-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-6-19-29-41(56)30-20-11-7-12-21-31-43(57)52(61)54(62)65-42(39-63-50(59)35-25-16-8-13-22-32-45-46(66-45)33-23-15-10-18-27-37-55)40-64-51(60)36-26-17-9-14-24-34-47-48(67-47)38-49-53(68-49)44(58)28-4-2/h15,19-20,23,29-30,41-49,52-53,55-58,61H,3-14,16-18,21-22,24-28,31-40H2,1-2H3/b23-15?,29-19?,30-20?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:19]=[CH:29][CH:41]([CH:30]=[CH:20][CH2:11][CH2:7][CH2:12][CH2:21][CH2:31][CH:43]([CH:52]([C:54](=[O:62])[O:65][CH:42]([CH2:39][O:63][C:50]([CH2:35][CH2:25][CH2:16][CH2:8][CH2:13][CH2:22][CH2:32][CH:45]1[CH:46]([CH2:33][CH:23]=[CH:15][CH2:10][CH2:18][CH2:27][CH2:37][OH:55])[O:66]1)=[O:59])[CH2:40][O:64][C:51]([CH2:36][CH2:26][CH2:17][CH2:9][CH2:14][CH2:24][CH2:34][CH:47]1[CH:48]([CH2:38][CH:49]2[CH:53]([CH:44]([CH2:28][CH2:4][CH3:2])[OH:58])[O:68]2)[O:67]1)=[O:60])[OH:61])[OH:57])[OH:56] |
|