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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O7
Molecular Weight 434.5226
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AJUGARIN-I

SMILES

C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC4=CC(=O)OC4

InChI

InChIKey=RNYBNBANBCQZON-PGQNDPHJSA-N
InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H34O7
Molecular Weight 434.5226
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
29UW6AH176
Record Status Validated (UNII)
Record Version