Chemical Properties of (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate (CAS 116988-91-1)

(S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate

InChI
InChI=1S/C22H24O8/c1-6-12(2)21(24)29-15(22(3,4)25)11-28-17-13-7-8-16(23)30-19(13)20(26-5)18-14(17)9-10-27-18/h6-10,15,25H,11H2,1-5H3/b12-6-/t15-/m0/s1
InChI Key
VTMREZQNDKWTII-GIXCSOPHSA-N
Formula
C22H24O8
SMILES
CC=C(C)C(=O)OC(COc1c2ccoc2c(OC)c2oc(=O)ccc12)C(C)(C)O
Molecular Weight1
416.42
CAS
116988-91-1
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Physical Properties

Property Value Unit Source
ω 1.0976 Relay (1.0) Calculated Property
ΔfG° -576.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1047.51 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 149.42 kJ/mol Relay (1.0) Calculated Property
IE 8.27 eV Relay (1.0) Calculated Property
log10WS -4.00 Relay (1.0) Calculated Property
logPoct/wat 3.575 Crippen Calculated Property
McVol 300.820 ml/mol McGowan Calculated Property
Pc 974.12 kPa Relay (1.0-beta) Calculated Property
Inp 3170.40 NIST
Tboil 762.17 K Relay (1.0) Calculated Property
Tc 1021.55 K Relay (1.0) Calculated Property
Tfus 417.92 K Relay (1.0) Calculated Property
Vc 1.127 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

(Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)butan-2-yl 2-methylbut-2-enoate. (R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate. (Z)-Cnidimine. (E)-Cnidimine. Mucronatinine. Pumiline A. Gelsemine. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Axillarine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Grahamine. Doronenine. Shinflavanone. Uridine, 2',3'-O-(1-methylethylidene)-.

Find more compounds similar to (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate.

Sources

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