Walsuronoid B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30O6
Molecular Weight	438.5128
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](O)CC3=C(C[C@@H](O)[C@@]3(C)[C@]1(C)C(=O)C(O)=C4C(C)(C)C(=O)C=C[C@]24C)C5=COC=C5

InChI

InChIKey=XXFWAJSCCSMNPP-FTGJQZKBSA-N

InChI=1S/C26H30O6/c1-23(2)17(28)6-8-24(3)20-16(27)11-15-14(13-7-9-32-12-13)10-18(29)25(15,4)26(20,5)22(31)19(30)21(23)24/h6-9,12,16,18,20,27,29-30H,10-11H2,1-5H3/t16-,18+,20+,24+,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O6
Molecular Weight	438.5128
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:47:52 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:52 GMT 2023`
Record UNII	H7VE9VXJ2J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Walsuronoid B

Common Name

English

18,24-Dinorchola-1,5,13(17),20,22-pentaene-3,7-dione, 21,23-epoxy-6,11,15-trihydroxy-4,4,8,14-tetramethyl-, (11β,15β)

Systematic Name

English

(8R,9R,10R,11S,14R,15R)-17-(furan-3-yl)-6,11,15-trihydroxy-4,4,8,10,14-pentamethyl-11,12,15,16-tetrahydro-9H-cyclopenta[a]phenanthrene-3,7-dione

Systematic Name

English

(11β,15β)-21,23-Epoxy-6,11,15-trihydroxy-4,4,8,14-tetramethyl-18,24-dinorchola-1,5,13(17),20,22-pentaene-3,7-dione

Systematic Name

English

Code System Code Type Description

PUBCHEM

16724460

Created by admin on Sat Dec 16 19:47:52 GMT 2023 , Edited by admin on Sat Dec 16 19:47:52 GMT 2023

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FDA UNII

H7VE9VXJ2J

Created by admin on Sat Dec 16 19:47:52 GMT 2023 , Edited by admin on Sat Dec 16 19:47:52 GMT 2023

PRIMARY

CAS

942582-15-2

Created by admin on Sat Dec 16 19:47:52 GMT 2023 , Edited by admin on Sat Dec 16 19:47:52 GMT 2023

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