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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30O9
Molecular Weight 486.511
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAIGREMONTIANIN

SMILES

[H][C@@]12C[C@@]3([H])O[C@@](C)(O1)O[C@@]4(CC[C@]5([H])[C@]([H])([C@H](O)C(=O)[C@]6(C)[C@H](CC[C@]56O)C7=COC(=O)C=C7)[C@@]34C=O)C2

InChI

InChIKey=PHOLEJIIASOWOL-XOGNUPMYSA-N
InChI=1S/C26H30O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11-12,14-17,19-20,29,31H,5-10H2,1-2H3/t14-,15+,16+,17+,19+,20-,22-,23+,24-,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H30O9
Molecular Weight 486.511
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N5SG3A9FLM
Record Status Validated (UNII)
Record Version