4-ACETYLANTROQUINONOL B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H38O7
Molecular Weight	462.5757
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C(=O)[C@H](C)[C@@H](C\C=C(/C)CC\C=C(/C)C[C@H]2C[C@H](C)C(=O)O2)[C@H]1OC(C)=O

InChI

InChIKey=XXAVUEUAHANHQA-ZXOJLNOSSA-N

InChI=1S/C26H38O7/c1-15(9-8-10-16(2)13-20-14-17(3)26(29)33-20)11-12-21-18(4)22(28)24(30-6)25(31-7)23(21)32-19(5)27/h10-11,17-18,20-21,23H,8-9,12-14H2,1-7H3/b15-11+,16-10+/t17-,18+,20-,21+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H38O7
Molecular Weight	462.5757
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:36:05 UTC 2023` Edited by `admin` on `Sat Dec 16 09:36:05 UTC 2023`
Record UNII	72XZO87CZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-ACETYLANTROQUINONOL B

Common Name

English

4-AAQB

Common Name

English

Code System Code Type Description

PUBCHEM

112500518

Created by admin on Sat Dec 16 09:36:05 UTC 2023 , Edited by admin on Sat Dec 16 09:36:05 UTC 2023

PRIMARY

FDA UNII

72XZO87CZJ

Created by admin on Sat Dec 16 09:36:05 UTC 2023 , Edited by admin on Sat Dec 16 09:36:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID60109983

Created by admin on Sat Dec 16 09:36:05 UTC 2023 , Edited by admin on Sat Dec 16 09:36:05 UTC 2023

PRIMARY

CAS

1187652-02-3

Created by admin on Sat Dec 16 09:36:05 UTC 2023 , Edited by admin on Sat Dec 16 09:36:05 UTC 2023

PRIMARY

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