| Properties | Image |
|---|
| MNX_ID | MNXM1176523 |
 |
| reference | envipathM:...f15dfc7cd5c4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ZXMYZUJJPONJFW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-21-31-44(57)53-54(67-53)45(58)32-22-18-19-25-36-51(60)63-41-43(64-52(61)37-26-16-12-10-8-7-9-11-14-20-30-42(56)29-4-2)40-62-50(59)35-24-17-13-15-23-33-46-48(65-46)39-49-47(66-49)34-27-28-38-55/h9,11,20-21,30-31,42-44,46-49,53-57H,3-8,10,12-19,22-29,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(=O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-21-31-44(57)53-54(67-53)45(58)32-22-18-19-25-36-51(60)63-41-43(64-52(61)37-26-16-12-10-8-7-9-11-14-20-30-42(56)29-4-2)40-62-50(59)35-24-17-13-15-23-33-46-48(65-46)39-49-47(66-49)34-27-28-38-55/h9,11,20-21,30-31,42-44,46-49,53-57H,3-8,10,12-19,22-29,32-41H2,1-2H3/b11-9?,30-20?,31-21?/t42?,43?,44?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:21]=[CH:31][CH:44]([CH:53]1[CH:54]([C:45]([CH2:32][CH2:22][CH2:18][CH2:19][CH2:25][CH2:36][C:51](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:24][CH2:17][CH2:13][CH2:15][CH2:23][CH2:33][CH:46]2[CH:48]([CH2:39][CH:49]3[CH:47]([CH2:34][CH2:27][CH2:28][CH2:38][OH:55])[O:66]3)[O:65]2)=[O:59])[O:64][C:52]([CH2:37][CH2:26][CH2:16][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:20]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:61])=[O:58])[O:67]1)[OH:57] |
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