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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26O5
Molecular Weight 310.3853
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOTRYDIAL

SMILES

[H][C@@]12[C@H](C[C@@H](C)[C@H](C=O)[C@]1(O)[C@](C)(CC2(C)C)C=O)OC(C)=O

InChI

InChIKey=SJFIYVCSGNWVPJ-GKKOWQTJSA-N
InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H26O5
Molecular Weight 310.3853
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
2VQE1Z1G8Q
Record Status Validated (UNII)
Record Version