| Properties | Image |
|---|
| MNX_ID | MNXM1184031 |
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| reference | envipathM:...81b0643157ba |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SBUCWYFHYYTADN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-13-22-31-43(56)32-23-19-20-29-39-51(61)65-44(41-63-49(59)37-27-17-10-14-24-33-45(57)46(58)34-25-15-12-21-30-40-55)42-64-50(60)38-28-18-11-16-26-36-48-54(67-48)52(62)53-47(66-53)35-6-4-2/h8-9,15,22,25,31,43-44,46-48,52-56,58,62H,3-7,10-14,16-21,23-24,26-30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCCO)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-13-22-31-43(56)32-23-19-20-29-39-51(61)65-44(41-63-49(59)37-27-17-10-14-24-33-45(57)46(58)34-25-15-12-21-30-40-55)42-64-50(60)38-28-18-11-16-26-36-48-54(67-48)52(62)53-47(66-53)35-6-4-2/h8-9,15,22,25,31,43-44,46-48,52-56,58,62H,3-7,10-14,16-21,23-24,26-30,32-42H2,1-2H3/b9-8?,25-15?,31-22?/t43?,44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:13][CH:22]=[CH:31][CH:43]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:29][CH2:39][C:51](=[O:61])[O:65][CH:44]([CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:14][CH2:24][CH2:33][C:45]([CH:46]([CH2:34][CH:25]=[CH:15][CH2:12][CH2:21][CH2:30][CH2:40][OH:55])[OH:58])=[O:57])=[O:59])[CH2:42][O:64][C:50]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:16][CH2:26][CH2:36][CH:48]1[CH:54]([CH:52]([CH:53]2[CH:47]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:62])[O:67]1)=[O:60])[OH:56] |
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