| Properties | Image |
|---|
| MNX_ID | MNXM1174119 |
 |
| reference | envipathM:...ed13585c8a57 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | GOXZYUVIVMYRCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-6-18-25-33-44(56)45(57)34-26-19-17-21-28-36-50(60)63-41-43(65-52(62)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)42-64-51(61)37-29-23-22-27-35-47(59)54-49(67-54)40-48-53(66-48)46(58)32-4-2/h7-8,12,14,43-49,53-59H,3-6,9-11,13,15-42H2,1-2H3 |
| SMILES | CCCCCCCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-6-18-25-33-44(56)45(57)34-26-19-17-21-28-36-50(60)63-41-43(65-52(62)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)42-64-51(61)37-29-23-22-27-35-47(59)54-49(67-54)40-48-53(66-48)46(58)32-4-2/h7-8,12,14,43-49,53-59H,3-6,9-11,13,15-42H2,1-2H3/b8-7?,14-12?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:18][CH2:25][CH2:33][CH:44]([CH:45]([CH2:34][CH2:26][CH2:19][CH2:17][CH2:21][CH2:28][CH2:36][C:50](=[O:60])[O:63][CH2:41][CH:43]([CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:23][CH2:22][CH2:27][CH2:35][CH:47]([CH:54]1[CH:49]([CH2:40][CH:48]2[CH:53]([CH:46]([CH2:32][CH2:4][CH3:2])[OH:58])[O:66]2)[O:67]1)[OH:59])=[O:61])[O:65][C:52]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])=[O:62])[OH:57])[OH:56] |
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