| Properties | Image |
|---|
| MNX_ID | MNXM1184633 |
 |
| reference | envipathM:...74c0606d9e29 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | SHLIZSNZNOYHBU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-31-44(57)46(59)39-49-54(68-49)53(63)45(58)32-22-21-26-36-51(61)65-41-43(66-52(62)37-25-18-14-12-10-8-6-7-9-11-13-15-20-27-38-55)40-64-50(60)35-24-19-16-17-23-33-47-48(67-47)34-28-30-42(56)29-4-2/h6-7,11,13,28,30,42-49,53-59,63H,3-5,8-10,12,14-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1C(O)C(O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-31-44(57)46(59)39-49-54(68-49)53(63)45(58)32-22-21-26-36-51(61)65-41-43(66-52(62)37-25-18-14-12-10-8-6-7-9-11-13-15-20-27-38-55)40-64-50(60)35-24-19-16-17-23-33-47-48(67-47)34-28-30-42(56)29-4-2/h6-7,11,13,28,30,42-49,53-59,63H,3-5,8-10,12,14-27,29,31-41H2,1-2H3/b7-6?,13-11?,30-28?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:44]([CH:46]([CH2:39][CH:49]1[CH:54]([CH:53]([CH:45]([CH2:32][CH2:22][CH2:21][CH2:26][CH2:36][C:51](=[O:61])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:50]([CH2:35][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:33][CH:47]2[CH:48]([CH2:34][CH:28]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:67]2)=[O:60])[O:66][C:52]([CH2:37][CH2:25][CH2:18][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:20][CH2:27][CH2:38][OH:55])=[O:62])[OH:58])[OH:63])[O:68]1)[OH:59])[OH:57] |
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