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Home Other Building Blocks BETULIN DIACETATE

BETULIN DIACETATE

CAS No.:
1721-69-3
Catalog Number:
AG00APGV
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00APGV
Chemical Name:
BETULIN DIACETATE
CAS Number:
1721-69-3
MDL Number:
MFCD00017378
IUPAC Name:
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-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]chrysen-3a-yl]methyl acetate
InChI:
InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1
InChI Key:
MIROITGPMGDCGI-MQXQNARFSA-N
EC Number:
217-015-5
UNII:
U2YW502S1Q
NSC Number:
38876
Properties
Complexity:
998  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
526.402g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
526.802g/mol
Monoisotopic Mass:
526.402g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4  
Literature
Title Journal
Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina. Journal of natural products 20150522
Betulin-derived compounds as inhibitors of alphavirus replication. Journal of natural products 20091101
Novel 3alpha-methoxyserrat-14-en-21beta-ol (PJ-1) and 3beta-methoxyserrat-14-en-21beta-ol (PJ-2)-curcumin, kojic acid, quercetin, and baicalein conjugates as HIV agents. Bioorganic & medicinal chemistry 20090715
[Transformation of betulin diacetate by the Prins reaction]. Bioorganicheskaia khimiia 20080101
[Synthesis and antitumor activity of cyclopropane derivatives of betulinic and betulonic acids]. Bioorganicheskaia khimiia 20050101
Rearranged jatrophane-type diterpenes from euphorbia species. Evaluation of their effects on the reversal of multidrug resistance. Planta medica 20040101
New cytotoxic lupane triterpenoids from the twigs of Coussarea paniculata. Journal of natural products 20030301
Differentiation- and apoptosis-inducing activities by pentacyclic triterpenes on a mouse melanoma cell line. Journal of natural products 20020501
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase. Lipids 20010501
Assessment of antimycobacterial activity of a series of mainly marine derived natural products. Planta medica 20000501
Anti-AIDS agents. 34. Synthesis and structure-activity relationships of betulin derivatives as anti-HIV agents. Journal of medicinal chemistry 19981105
Properties