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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O5
Molecular Weight 346.4174
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALLOTINONE

SMILES

[H][C@]12OC(=O)[C@@]3(C)CCC[C@@](C)([C@@]13[H])[C@@](O)(CCC4=COC=C4)[C@H](C)C2=O

InChI

InChIKey=XOYLONZCXCRVKZ-XTDUBZMBSA-N
InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H26O5
Molecular Weight 346.4174
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:57 GMT 2023
Record UNII
VK82Y76H2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALLOTINONE
Common Name English
7-OXOMARRUBIIN
Common Name English
2H-NAPHTHO(1,8-BC)FURAN-2,8(2AH)-DIONE, 6-(2-(3-FURANYL)ETHYL)OCTAHYDRO-6-HYDROXY-2A,5A,7-TRIMETHYL-, (2AS,5AS,6R,7S,8AS,8BR)-
Systematic Name English
Code System Code Type Description
FDA UNII
VK82Y76H2J
Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023
PRIMARY
PUBCHEM
21596426
Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023
PRIMARY
CAS
61289-05-2
Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT