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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O7
Molecular Weight 486.5971
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of BONGKREKIC ACID

SMILES

CO[C@H](C\C=C/C=C/CC\C=C\C[C@H](C)\C=C\C(CC(O)=O)=C/C(O)=O)C(\C)=C/C=C(\C)C(O)=O

InChI

InChIKey=SHCXABJSXUACKU-WUTQZGRKSA-N
InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38O7
Molecular Weight 486.5971
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 7
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
L7V4I673D2
Record Status Validated (UNII)
Record Version