BALLOTINONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26O5
Molecular Weight	346.4174
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12OC(=O)[C@@]3(C)CCC[C@@](C)([C@@]13[H])[C@@](O)(CCC4=COC=C4)[C@H](C)C2=O

InChI

InChIKey=XOYLONZCXCRVKZ-XTDUBZMBSA-N

InChI=1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O5
Molecular Weight	346.4174
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 10:06:57 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:57 GMT 2023`
Record UNII	VK82Y76H2J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALLOTINONE

Common Name

English

7-OXOMARRUBIIN

Common Name

English

2H-NAPHTHO(1,8-BC)FURAN-2,8(2AH)-DIONE, 6-(2-(3-FURANYL)ETHYL)OCTAHYDRO-6-HYDROXY-2A,5A,7-TRIMETHYL-, (2AS,5AS,6R,7S,8AS,8BR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VK82Y76H2J

Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023

PRIMARY

PUBCHEM

21596426

Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023

PRIMARY

CAS

61289-05-2

Created by admin on Sat Dec 16 10:06:57 GMT 2023 , Edited by admin on Sat Dec 16 10:06:57 GMT 2023

PRIMARY

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BALLOTA NIGRA WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT