| Properties | Image |
MNX_ID | MNXM55040 |
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reference | slm:000395511 |
formula | C38H73NO8 |
global charge | 0 |
mol weight | 672.001 |
InChIKey | BDGGMKFFYWPIFU-ONXCDSSJSA-N |
InChI | InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25+/t31-,32+,33+,35+,36-,37+,38+/m0/s1 |
SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25+/t31-,32+,33+,35+,36-,37+,38+/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23]/[CH:25]=[CH:27]/[C@H:32]([C@H:31]([CH2:30][O:46][C@H:38]1[C@H:37]([OH:45])[C@@H:36]([OH:44])[C@H:35]([OH:43])[C@@H:33]([CH2:29][OH:40])[O:47]1)[N:39]=[C:34]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:42])[OH:41] |
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