SCHISANTHERIN B

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 Search

SMILES

COC1=CC2=C(C(OC)=C1OC)C3=C(C[C@H](C)[C@](C)(O)[C@H]2OC(=O)C(\C)=C/C)C=C4OCOC4=C3OC

InChI

InChIKey=BKGUPIVDQHHVMV-RZGKOBFOSA-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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:10:52 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:52 UTC 2023`
Record UNII	97ZTC185XV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SCHISANTHERIN B

Common Name

English

2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-5-YL ESTER, (2Z)-

Systematic Name

English

WUWEIZI ESTER B

Common Name

English

GOMISIN B

Common Name

English

SCHIZANTHERIN B

Common Name

English

Code System Code Type Description

PUBCHEM

6438572

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

CAS

58546-55-7

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

FDA UNII

97ZTC185XV

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

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