Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LFR4Z9
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| Ligand Name |
(1S)-3-Isopropyl-4beta-(4-O,6-O-isopropylidene-alpha-D-glucopyranosyloxy)-6alpha,10aalpha-dimethyl-9alpha-(methoxymethyl)-1beta,2beta-(epoxyethano)-1,2,4,5,6,6abeta,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5alpha-ol
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| Synonyms |
CHEMBL3814342; Q27460232; (1S)-3-Isopropyl-4beta-(4-O,6-O-isopropylidene-alpha-D-glucopyranosyloxy)-6alpha,10aalpha-dimethyl-9alpha-(methoxymethyl)-1beta,2beta-(epoxyethano)-1,2,4,5,6,6abeta,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5alpha-ol
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| Structure |
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Download2D MOL |
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| Formula |
C32H50O9
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| Canonical SMILES |
CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C(C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC
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| InChI |
1S/C32H50O9/c1-15(2)22-19-10-11-37-29(19)32(6)12-20-17(13-36-7)8-9-18(20)16(3)24(33)28(23(22)32)40-30-26(35)25(34)27-21(39-30)14-38-31(4,5)41-27/h12,15-19,21,24-30,33-35H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,18+,19+,21-,24-,25-,26-,27-,28-,29+,30-,32-/m1/s1
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| InChIKey |
VVWLHUXTBJWIOB-YGTMNZBKSA-N
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| PubChem Compound ID | ||||
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