| Properties | Image |
|---|
| MNX_ID | MNXM1180294 |
 |
| reference | envipathM:...e90b6fea899f |
| formula | C52H85O12 |
| global charge | -1 |
| mol weight | 902.24 |
| InChIKey | DALBOOQKVMYCHS-UHFFFAOYSA-M |
| InChI | InChI=1S/C52H86O12/c1-3-5-7-9-10-14-21-29-41(53)30-22-19-20-28-36-52(58)61-42(39-59-50(56)34-26-17-11-15-24-32-44-43(62-44)31-23-13-8-6-4-2)40-60-51(57)35-27-18-12-16-25-33-45-46(63-45)37-47-48(64-47)38-49(54)55/h9-10,13,21,23,29,41-48,53H,3-8,11-12,14-20,22,24-28,30-40H2,1-2H3,(H,54,55)/p-1 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C52H86O12/c1-3-5-7-9-10-14-21-29-41(53)30-22-19-20-28-36-52(58)61-42(39-59-50(56)34-26-17-11-15-24-32-44-43(62-44)31-23-13-8-6-4-2)40-60-51(57)35-27-18-12-16-25-33-45-46(63-45)37-47-48(64-47)38-49(54)55/h9-10,13,21,23,29,41-48,53H,3-8,11-12,14-20,22,24-28,30-40H2,1-2H3,(H,54,55)/b10-9?,23-13?,29-21?/t41?,42?,43?,44?,45?,46?,47?,48? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:14][CH:21]=[CH:29][CH:41]([CH2:30][CH2:22][CH2:19][CH2:20][CH2:28][CH2:36][C:52](=[O:58])[O:61][CH:42]([CH2:39][O:59][C:50]([CH2:34][CH2:26][CH2:17][CH2:11][CH2:15][CH2:24][CH2:32][CH:44]1[CH:43]([CH2:31][CH:23]=[CH:13][CH2:8][CH2:6][CH2:4][CH3:2])[O:62]1)=[O:56])[CH2:40][O:60][C:51]([CH2:35][CH2:27][CH2:18][CH2:12][CH2:16][CH2:25][CH2:33][CH:45]1[CH:46]([CH2:37][CH:47]2[CH:48]([CH2:38][C:49](=[O:54])[OH:55])[O:64]2)[O:63]1)=[O:57])[OH:53] |
|