SCHISANTHERIN D

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 Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 09:22:08 UTC 2023`
Record UNII	9DKR8Q4EZC
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 09:22:08 UTC 2023

PRIMARY

PUBCHEM

163067

Created by admin on Sat Dec 16 09:22:08 UTC 2023 , Edited by admin on Sat Dec 16 09:22:08 UTC 2023

PRIMARY

FDA UNII

9DKR8Q4EZC

Created by admin on Sat Dec 16 09:22:08 UTC 2023 , Edited by admin on Sat Dec 16 09:22:08 UTC 2023

PRIMARY

CAS

64917-82-4

Created by admin on Sat Dec 16 09:22:08 UTC 2023 , Edited by admin on Sat Dec 16 09:22:08 UTC 2023

PRIMARY

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