9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

HCID 289984CAS 10376-50-8

Grundinformationen

Standard-SMILES
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12
InChIKey
ACWNTJJUZAIOLW-UHFFFAOYSA-N
Summenformel
C32H50O4
Durchschnittliche Molmasse
498,7 g/mol
Monoisotopische Masse
498,37091008

Überblick

3-(acetyloxy)lup-20(29)-en-28-oic acid has been reported in Monascus purpureus, Eucalyptus globulus, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name
9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
IUPAC
9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Namen und Synonyme

Betulinic acid acetate3Beta-acetoxybetulinic acidAcetylbetulinic acid9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid3-(acetyloxy)lup-20(29)-en-28-oic acidBetulic acid acetateacetyl betulinic acidDTXSID90302661ACWNTJJUZAIOLW-UHFFFAOYSA-NNSC152533NSC-152533Lup-20(29)-en-28-oic acid, acetate

Datenbank-Bezeichner

CAS
10376-50-8
PubChem CID
289984
DTXSID
DTXSID90302661

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,8
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
36

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4

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