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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O5
Molecular Weight 374.4706
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Guanacastepene A

SMILES

CC(C)[C@H]1[C@@H](OC(C)=O)C(=O)C2=CC3=C(C=O)[C@@H](O)CC[C@@]3(C)CC[C@]12C

InChI

InChIKey=KCPNSIPCHJTGHJ-MYHSIESUSA-N
InChI=1S/C22H30O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10-12,17-18,20,25H,6-9H2,1-5H3/t17-,18-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O5
Molecular Weight 374.4706
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
G5H7ZB2HDF
Record Status Validated (UNII)
Record Version