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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28O9
Molecular Weight 520.5272
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of SCHISANTHERIN D

SMILES

COC1=C2OCOC2=CC3=C1C4=C(OC)C5=C(OCO5)C=C4[C@H](OC(=O)C6=CC=CC=C6)[C@@](C)(O)[C@@H](C)C3

InChI

InChIKey=PGEJVRVFUGSAJF-SSEZWIOCSA-N
InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H28O9
Molecular Weight 520.5272
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:22:08 GMT 2023
Edited
by admin
on Sat Dec 16 09:22:08 GMT 2023
Record UNII
9DKR8Q4EZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCHISANTHERIN D
Common Name English
CYCLOOCTA(1,2-F:3,4-F')BIS(1,3)BENZODIOXOLE-5,6-DIOL, 5,6,7,8-TETRAHYDRO-13,14-DIMETHOXY-6,7-DIMETHYL-, 5-BENZOATE, (5S,6S,7S,13AS)-
Systematic Name English
SHISANTHERIN D
Common Name English
SCHIZANTHERIN D
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901316924
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
PUBCHEM
163067
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
FDA UNII
9DKR8Q4EZC
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
CAS
64917-82-4
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT