| Properties | Image |
|---|
| MNX_ID | MNXM1176332 |
 |
| reference | envipathM:...5134a4e6f8c5 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | SDBNFRAYTMGONB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-53(62)65-44(41-63-51(60)36-28-21-16-18-25-33-45(57)46(58)34-26-23-24-32-43(56)40-55)42-64-52(61)37-29-22-17-19-27-35-48-49(66-48)39-50-54(67-50)47(59)31-4-2/h7-8,10-11,43-50,54-59H,3-6,9,12-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCC(O)CO)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-53(62)65-44(41-63-51(60)36-28-21-16-18-25-33-45(57)46(58)34-26-23-24-32-43(56)40-55)42-64-52(61)37-29-22-17-19-27-35-48-49(66-48)39-50-54(67-50)47(59)31-4-2/h7-8,10-11,43-50,54-59H,3-6,9,12-42H2,1-2H3/b8-7?,11-10?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:30][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:18][CH2:25][CH2:33][CH:45]([CH:46]([CH2:34][CH2:26][CH2:23][CH2:24][CH2:32][CH:43]([CH2:40][OH:55])[OH:56])[OH:58])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:27][CH2:35][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([CH:47]([CH2:31][CH2:4][CH3:2])[OH:59])[O:67]2)[O:66]1)=[O:61] |
|