| Properties | Image |
|---|
| MNX_ID | MNXM1178322 |
 |
| reference | envipathM:...ed07c43d5933 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | RVWOZSZQFNDIAW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-33-45(57)52(61)53(62)54-48(67-54)36-26-17-13-21-28-38-50(59)64-42-44(65-51(60)39-29-19-11-9-7-6-8-10-15-23-32-43(56)31-4-2)41-63-49(58)37-27-20-12-16-24-34-46-47(66-46)35-25-18-14-22-30-40-55/h8,10,18,23,25,32,43-44,46-48,52-56,61-62H,3-7,9,11-17,19-22,24,26-31,33-42H2,1-2H3 |
| SMILES | CCCCC(=O)C(O)C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-33-45(57)52(61)53(62)54-48(67-54)36-26-17-13-21-28-38-50(59)64-42-44(65-51(60)39-29-19-11-9-7-6-8-10-15-23-32-43(56)31-4-2)41-63-49(58)37-27-20-12-16-24-34-46-47(66-46)35-25-18-14-22-30-40-55/h8,10,18,23,25,32,43-44,46-48,52-56,61-62H,3-7,9,11-17,19-22,24,26-31,33-42H2,1-2H3/b10-8?,25-18?,32-23?/t43?,44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][C:45]([CH:52]([CH:53]([CH:54]1[CH:48]([CH2:36][CH2:26][CH2:17][CH2:13][CH2:21][CH2:28][CH2:38][C:50](=[O:59])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:20][CH2:12][CH2:16][CH2:24][CH2:34][CH:46]2[CH:47]([CH2:35][CH:25]=[CH:18][CH2:14][CH2:22][CH2:30][CH2:40][OH:55])[O:66]2)=[O:58])[O:65][C:51]([CH2:39][CH2:29][CH2:19][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:15][CH:23]=[CH:32][CH:43]([CH2:31][CH2:4][CH3:2])[OH:56])=[O:60])[O:67]1)[OH:62])[OH:61])=[O:57] |
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