Chemical Properties of 3,13Alpha-dihydroxy-13,17-secoestra-1,3,5(10),6,8-pentaen-17-oic acid (CAS 133372-01-7)

3,13Alpha-dihydroxy-13,17-secoestra-1,3,5(10),6,8-pentaen-17-oic acid

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InChI
InChI=1S/C18H20O4/c1-18(22)9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21/h2-5,10,16,19,22H,6-9H2,1H3,(H,20,21)
InChI Key
SEMJUDNMZYNLDQ-UHFFFAOYSA-N
Formula
C18H20O4
SMILES
CC1(O)CCc2c(ccc3cc(O)ccc23)C1CCC(=O)O
Molecular Weight1
300.35
CAS
133372-01-7
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Physical Properties

Property Value Unit Source
ΔfG° -221.25 kJ/mol Joback Calculated Property
ΔfH°gas -543.00 kJ/mol Joback Calculated Property
ΔfusH° 39.02 kJ/mol Joback Calculated Property
ΔvapH° 112.64 kJ/mol Joback Calculated Property
log10WS -4.44 Crippen Calculated Property
logPoct/wat 3.191 Crippen Calculated Property
McVol 229.580 ml/mol McGowan Calculated Property
Pc 2963.34 kPa Joback Calculated Property
Tboil 992.29 K Joback Calculated Property
Tc 1222.49 K Joback Calculated Property
Tfus 694.15 K Joback Calculated Property
Vc 0.814 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [773.30; 902.62] J/mol×K [992.29; 1222.49] Show Hide
Cp,gas 773.30 J/mol×K 992.29 Joback Calculated Property
Cp,gas 791.38 J/mol×K 1030.66 Joback Calculated Property
Cp,gas 810.52 J/mol×K 1069.02 Joback Calculated Property
Cp,gas 830.96 J/mol×K 1107.39 Joback Calculated Property
Cp,gas 852.95 J/mol×K 1145.76 Joback Calculated Property
Cp,gas 876.76 J/mol×K 1184.13 Joback Calculated Property
Cp,gas 902.62 J/mol×K 1222.49 Joback Calculated Property

Similar Compounds

3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Benazepril Me. 4«alpha»-Angeloyloxy-3«beta»-hydroxylupanine. Indane-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to 3,13Alpha-dihydroxy-13,17-secoestra-1,3,5(10),6,8-pentaen-17-oic acid.

Sources

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