| Properties | Image |
|---|
| MNX_ID | MNXM1194542 |
 |
| reference | envipathM:...cab36f9e3492 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SUHCDHAHIALHPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-8-16-25-33-46-47(65-46)34-26-18-15-20-27-35-50(59)62-39-41(64-52(61)37-29-19-14-12-10-9-11-13-17-23-31-43(56)42(55)6-3)40-63-51(60)36-28-22-21-24-32-45(58)54-49(67-54)38-48-53(66-48)44(57)30-5-2/h11,13,16,23,25,31,41-44,46-49,53-57H,4-10,12,14-15,17-22,24,26-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(=O)C1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-8-16-25-33-46-47(65-46)34-26-18-15-20-27-35-50(59)62-39-41(64-52(61)37-29-19-14-12-10-9-11-13-17-23-31-43(56)42(55)6-3)40-63-51(60)36-28-22-21-24-32-45(58)54-49(67-54)38-48-53(66-48)44(57)30-5-2/h11,13,16,23,25,31,41-44,46-49,53-57H,4-10,12,14-15,17-22,24,26-30,32-40H2,1-3H3/b13-11?,25-16?,31-23?/t41?,42?,43?,44?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:16]=[CH:25][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:26][CH2:18][CH2:15][CH2:20][CH2:27][CH2:35][C:50](=[O:59])[O:62][CH2:39][CH:41]([CH2:40][O:63][C:51]([CH2:36][CH2:28][CH2:22][CH2:21][CH2:24][CH2:32][C:45]([CH:54]2[CH:49]([CH2:38][CH:48]3[CH:53]([CH:44]([CH2:30][CH2:5][CH3:2])[OH:57])[O:66]3)[O:67]2)=[O:58])=[O:60])[O:64][C:52]([CH2:37][CH2:29][CH2:19][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:17][CH:23]=[CH:31][CH:43]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:61])[O:65]1 |
|