| Properties | Image |
|---|
| MNX_ID | MNXM1192264 |
 |
| reference | envipathM:...40ab5d80c1b2 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | KBHOCUXLADQNCF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-51(60)65-44(42-64-50(59)36-30-25-19-22-28-34-47-46(66-47)33-27-20-8-6-4-2)41-63-49(58)35-29-24-18-21-26-32-45(57)52(61)53(62)54-48(67-54)39-38-43(56)40-55/h9-10,12-13,43-48,52-57,61-62H,3-8,11,14-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCC(O)CO)COC(=O)CCCCCCCC1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-37-51(60)65-44(42-64-50(59)36-30-25-19-22-28-34-47-46(66-47)33-27-20-8-6-4-2)41-63-49(58)35-29-24-18-21-26-32-45(57)52(61)53(62)54-48(67-54)39-38-43(56)40-55/h9-10,12-13,43-48,52-57,61-62H,3-8,11,14-42H2,1-2H3/b10-9?,13-12?/t43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:23][CH2:31][CH2:37][C:51](=[O:60])[O:65][CH:44]([CH2:41][O:63][C:49]([CH2:35][CH2:29][CH2:24][CH2:18][CH2:21][CH2:26][CH2:32][CH:45]([CH:52]([CH:53]([CH:54]1[CH:48]([CH2:39][CH2:38][CH:43]([CH2:40][OH:55])[OH:56])[O:67]1)[OH:62])[OH:61])[OH:57])=[O:58])[CH2:42][O:64][C:50]([CH2:36][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:34][CH:47]1[CH:46]([CH2:33][CH2:27][CH2:20][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:59] |
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