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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H54O4
Molecular Weight 526.7902
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETULIN DIACETATE

SMILES

[H][C@]12[C@@H](CC[C@]1(COC(C)=O)CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(C)=C

InChI

InChIKey=MIROITGPMGDCGI-MQXQNARFSA-N
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

HIDE SMILES / InChI

Molecular Formula C34H54O4
Molecular Weight 526.7902
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Anti-AIDS agents. 34. Synthesis and structure-activity relationships of betulin derivatives as anti-HIV agents.
1998 Nov 5
Assessment of antimycobacterial activity of a series of mainly marine derived natural products.
2000 May
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase.
2001 May
Rearranged jatrophane-type diterpenes from euphorbia species. Evaluation of their effects on the reversal of multidrug resistance.
2004 Jan
[Synthesis and antitumor activity of cyclopropane derivatives of betulinic and betulonic acids].
2005 May-Jun
[Transformation of betulin diacetate by the Prins reaction].
2008 Jul-Aug
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:58:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:58:59 GMT 2023
Record UNII
U2YW502S1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETULIN DIACETATE
MI  
Common Name English
NSC-38876
Code English
BETULINOL DIACETATE
Common Name English
LUP-20(29)-ENE-3,28-DIOL, 3,28-DIACETATE, (3.BETA.)-
Common Name English
BETULINOL BIACETATE
Common Name English
BETULIN DIACETATE [MI]
Common Name English
3,28-DI-O-ACETYLBETULIN
Common Name English
(+)-BETULIN DIACETATE
Common Name English
3,28-DIACETOXY-BETULIN
Common Name English
Code System Code Type Description
NSC
38876
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-015-5
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
FDA UNII
U2YW502S1Q
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
PUBCHEM
236415
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
CAS
1721-69-3
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID701244307
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY
MERCK INDEX
m2462
Created by admin on Sat Dec 16 10:58:59 GMT 2023 , Edited by admin on Sat Dec 16 10:58:59 GMT 2023
PRIMARY Merck Index