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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O9
Molecular Weight 514.5642
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of TIGLOYLGOMISIN P

SMILES

COC1=C(OC)C(OC)=C2C(=C1)[C@@H](OC(=O)C(\C)=C\C)[C@](C)(O)[C@@H](C)CC3=C2C(OC)=C4OCOC4=C3

InChI

InChIKey=BKGUPIVDQHHVMV-TWJXSMCESA-N
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H34O9
Molecular Weight 514.5642
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2VFX4QAR6A
Record Status Validated (UNII)
Record Version