| Properties | Image |
|---|
| MNX_ID | MNXM1193783 |
 |
| reference | envipathM:...ed25e20130d8 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | CGJKIIMAYIJWEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(60)65-42(41-64-54(62)52(61)45(57)35-28-25-27-34-44(56)43(55)33-26-21-10-8-5-2)40-63-50(59)37-30-24-20-22-29-36-47-48(66-47)39-49-53(67-49)46(58)32-6-3/h11-12,14-15,21,26,42-44,46-49,52-53,55-56,58,61H,4-10,13,16-20,22-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)C(O)C(=O)CCCCCC(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(60)65-42(41-64-54(62)52(61)45(57)35-28-25-27-34-44(56)43(55)33-26-21-10-8-5-2)40-63-50(59)37-30-24-20-22-29-36-47-48(66-47)39-49-53(67-49)46(58)32-6-3/h11-12,14-15,21,26,42-44,46-49,52-53,55-56,58,61H,4-10,13,16-20,22-25,27-41H2,1-3H3/b12-11?,15-14?,26-21?/t42?,43?,44?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:31][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:29][CH2:36][CH:47]1[CH:48]([CH2:39][CH:49]2[CH:53]([CH:46]([CH2:32][CH2:6][CH3:3])[OH:58])[O:67]2)[O:66]1)=[O:59])[CH2:41][O:64][C:54]([CH:52]([C:45]([CH2:35][CH2:28][CH2:25][CH2:27][CH2:34][CH:44]([CH:43]([CH2:33][CH:26]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:57])[OH:61])=[O:62] |
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