PURPUROGENONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H20O11
Molecular Weight	544.4625
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(O)=C2C(=O)C3=C(O)[C@@H]4[C@H](O)[C@]5(O)[C@@H](C(=O)C[C@]35C(=O)C2=C1)C6=C4C(=O)C7=C(O)C=C(C)C(O)=C7C6=O

InChI

InChIKey=PKFZUNQTCZISSQ-LEBWPEGGSA-N

InChI=1S/C29H20O11/c1-7-3-9-13(10(30)4-7)24(36)20-25(37)18-15-16(19-12(32)6-28(20,26(9)38)29(19,40)27(18)39)23(35)17-14(22(15)34)11(31)5-8(2)21(17)33/h3-5,18-19,27,30-31,33,37,39-40H,6H2,1-2H3/t18-,19+,27+,28-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H20O11
Molecular Weight	544.4625
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:01:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:18 GMT 2025`
Record UNII	LO3T2W2N4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6S,13AS,16S,18S,19S)-6,16-DIHYDRO-1,4,7,9,18,19-HEXAHYDROXY-2,11-DIMETHYL-6,13A,16-ETHANYLYLIDENE-13AH-CYCLONONA(1,2-B:5,6-B')DINAPHTHALENE-5,8,13,15,17(14H)-PENTONE

Preferred Name

English

PURPUROGENONE

Common Name

English

6,13A,16-ETHANYLYLIDENE-13AH-CYCLONONA(1,2-B:5,6-B')DINAPHTHALENE-5,8,13,15,17(14H)-PENTONE, 6,16-DIHYDRO-1,4,7,9,18,19-HEXAHYDROXY-2,11-DIMETHYL-, (6S,13AS,16S,18S,19S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

LO3T2W2N4W

Created by admin on Mon Mar 31 22:01:18 GMT 2025 , Edited by admin on Mon Mar 31 22:01:18 GMT 2025

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EPA CompTox

DTXSID10953179

Created by admin on Mon Mar 31 22:01:18 GMT 2025 , Edited by admin on Mon Mar 31 22:01:18 GMT 2025

PRIMARY

CAS

31077-93-7

Created by admin on Mon Mar 31 22:01:18 GMT 2025 , Edited by admin on Mon Mar 31 22:01:18 GMT 2025

PRIMARY

PUBCHEM

182027

Created by admin on Mon Mar 31 22:01:18 GMT 2025 , Edited by admin on Mon Mar 31 22:01:18 GMT 2025

PRIMARY