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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O5
Molecular Weight 350.4492
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-DEHYDRO-17-HYDRO-ANDROGRAPHOLIDE

SMILES

[H][C@]12CCC(C)=C(C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO

InChI

InChIKey=QSNYSKXZUCQDIE-UOWHFJIKSA-N
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,15-17,21-23H,4,6-11H2,1-3H3/b13-5+/t15-,16+,17-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H30O5
Molecular Weight 350.4492
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
R4JE0B5I4U
Record Status Validated (UNII)
Record Version