76958-67-3
HYPOTHEMYCIN
Name
HYPOTHEMYCIN
Formula
C19 H22 O8
MolWeight
378.375
1Identification
【Name】
HYPOTHEMYCIN
【CAS】
【MDL】
MFCD08457932
【English Synonyms】
【Formula】
C19 H22 O8
【MolWeight】
378.375
【Inchi】
InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1
【InChIKey】
InChIKey=SSNQAUBBJYCSMY-KNTMUCJRSA-N
【SMILES】
C[C@H]1C/C=C\C(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【hazard symbol】
【Risk Code】
【WGK Germany】
3
4CML File
HYPOTHEMYCIN.cml
Quick Release
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