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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O10
Molecular Weight 494.5315
Optical Activity ( + )
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Glaucarubinone

SMILES

[H][C@]12[C@]3(O)OC[C@@]14[C@@]([H])(C[C@@]5([H])C(C)=CC(=O)[C@@H](O)[C@]25C)OC(=O)[C@H](OC(=O)[C@@](C)(O)CC)[C@@]4([H])[C@@H](C)[C@H]3O

InChI

InChIKey=WRBGCYVAJRRQKP-STDAJNJZSA-N
InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34O10
Molecular Weight 494.5315
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:29 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:29 GMT 2023
Record UNII
YVP3DCD53V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Glaucarubinone
Common Name English
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1β,11β,12α,15β)-
Systematic Name English
(+)-Glaucarubinone
Common Name English
NSC-132791
Code English
NSC-277286
Code English
Code System Code Type Description
EPA CompTox
DTXSID201317402
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
FDA UNII
YVP3DCD53V
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
NSC
277286
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
CAS
1259-86-5
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
NSC
132791
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
PUBCHEM
441796
Created by admin on Sat Dec 16 18:34:29 GMT 2023 , Edited by admin on Sat Dec 16 18:34:29 GMT 2023
PRIMARY
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