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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31NO7
Molecular Weight 505.5589
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERNANDALINE

SMILES

[H][C@]12CC3=CC(OC4=CC(OC)=C(OC)C=C4C=O)=C(OC)C=C3C5=C1C(CCN2C)=CC(OC)=C5OC

InChI

InChIKey=HLUNBGMOGGEWFX-FQEVSTJZSA-N
InChI=1S/C29H31NO7/c1-30-8-7-16-10-26(35-5)29(36-6)28-19-13-23(33-3)25(11-17(19)9-20(30)27(16)28)37-21-14-24(34-4)22(32-2)12-18(21)15-31/h10-15,20H,7-9H2,1-6H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H31NO7
Molecular Weight 505.5589
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V29A3DB7ES
Record Status Validated (UNII)
Record Version