Chemical Properties of Gamabufotalin (CAS 465-11-2)

Gamabufotalin

InChI
InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3
InChI Key
FMTLOAVOGWSPEF-UHFFFAOYSA-N
Formula
C24H34O5
SMILES
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(c3ccc(=O)oc3)CCC12O
Molecular Weight1
402.52
CAS
465-11-2
Other Names
  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3«beta»,5«beta»,11«alpha»)-
  • 5«beta»-Bufa-20,22-dienolide, 3«beta»,11«alpha»,14-trihydroxy-
  • Gamabufagin
  • Gamabufogenin
  • Gammabufotalin
  • 3-«beta»,11-«alpha»,14-Trihydroxy-5-«beta»-bufa-20,22-dienolide
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Physical Properties

Property Value Unit Source
ω 0.8536 Relay (1.0) Calculated Property
ΔfG° -245.58 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -801.50 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 194.88 kJ/mol Relay (1.0) Calculated Property
IE 8.86 eV Relay (1.0) Calculated Property
log10WS -3.93 Relay (1.0) Calculated Property
logPoct/wat 3.213 Crippen Calculated Property
McVol 311.170 ml/mol McGowan Calculated Property
Pc 1111.42 kPa Relay (1.0-beta) Calculated Property
Tboil 751.36 K Relay (1.0) Calculated Property
Tc 1068.63 K Relay (1.0) Calculated Property
Tfus 502.21 K Relay (1.0) Calculated Property
Vc 1.148 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Bufotalin. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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.

Find more compounds similar to Gamabufotalin.

Sources

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