| Properties | Image |
|---|
| MNX_ID | MNXM1197614 |
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| reference | envipathM:...e381de9af855 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | IRVIKICXXDOYIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-25-32-44(57)53-46(66-53)34-27-20-18-23-29-36-50(59)63-41-42(64-51(60)37-30-21-15-13-11-9-7-8-10-12-14-16-24-31-38-55)40-62-49(58)35-28-22-17-19-26-33-45-47(65-45)39-48-54(67-48)52(61)43(56)4-2/h7-8,12,14,25,32,42,44-48,52-55,57,61H,3-6,9-11,13,15-24,26-31,33-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(=O)CC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-25-32-44(57)53-46(66-53)34-27-20-18-23-29-36-50(59)63-41-42(64-51(60)37-30-21-15-13-11-9-7-8-10-12-14-16-24-31-38-55)40-62-49(58)35-28-22-17-19-26-33-45-47(65-45)39-48-54(67-48)52(61)43(56)4-2/h7-8,12,14,25,32,42,44-48,52-55,57,61H,3-6,9-11,13,15-24,26-31,33-41H2,1-2H3/b8-7?,14-12?,32-25?/t42?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:25]=[CH:32][CH:44]([CH:53]1[CH:46]([CH2:34][CH2:27][CH2:20][CH2:18][CH2:23][CH2:29][CH2:36][C:50](=[O:59])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:49]([CH2:35][CH2:28][CH2:22][CH2:17][CH2:19][CH2:26][CH2:33][CH:45]2[CH:47]([CH2:39][CH:48]3[CH:54]([CH:52]([C:43]([CH2:4][CH3:2])=[O:56])[OH:61])[O:67]3)[O:65]2)=[O:58])[O:64][C:51]([CH2:37][CH2:30][CH2:21][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:38][OH:55])=[O:60])[O:66]1)[OH:57] |
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