| Properties | Image |
|---|
| MNX_ID | MNXM1177836 |
 |
| reference | envipathM:...e2f8e4a757e1 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | HXGKGEAHEKFKQU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-21-26-33-44(56)53(61)54(62)65-42(40-63-50(58)37-30-23-19-22-29-36-47-46(66-47)35-28-20-11-8-5-2)41-64-51(59)38-31-25-24-27-32-43(55)52(60)45(57)39-49-48(67-49)34-9-6-3/h12-13,15-16,20,28,42-43,45-49,52-53,55,57,60-61H,4-11,14,17-19,21-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(=O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-21-26-33-44(56)53(61)54(62)65-42(40-63-50(58)37-30-23-19-22-29-36-47-46(66-47)35-28-20-11-8-5-2)41-64-51(59)38-31-25-24-27-32-43(55)52(60)45(57)39-49-48(67-49)34-9-6-3/h12-13,15-16,20,28,42-43,45-49,52-53,55,57,60-61H,4-11,14,17-19,21-27,29-41H2,1-3H3/b13-12?,16-15?,28-20?/t42?,43?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:21][CH2:26][CH2:33][C:44]([CH:53]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:23][CH2:19][CH2:22][CH2:29][CH2:36][CH:47]1[CH:46]([CH2:35][CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:58])[CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:25][CH2:24][CH2:27][CH2:32][CH:43]([CH:52]([CH:45]([CH2:39][CH:49]1[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:57])[OH:60])[OH:55])=[O:59])[OH:61])=[O:56] |
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