BALLOTENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30O5
Molecular Weight	350.4492
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)C(=O)[C@@H](C)[C@](O)(CCC3=COC=C3)[C@@]1(C)CCC[C@]2(C)CO

InChI

InChIKey=ACMWVFQSRHHUMC-WGRDYNQISA-N

InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H30O5
Molecular Weight	350.4492
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 10:07:22 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:22 GMT 2023`
Record UNII	Y78418Z1UK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALLOTENOL

Common Name

English

2(1H)-NAPHTHALENONE, 4-(2-(3-FURANYL)ETHYL)OCTAHYDRO-1,4-DIHYDROXY-8-(HYDROXYMETHYL)-3,4A,8-TRIMETHYL-, (1.ALPHA.,3.BETA.,4.BETA.,4A.ALPHA.,8.ALPHA.,8A.BETA.)-

Systematic Name

English

2(1H)-NAPHTHALENONE, 4-(2-(3-FURANYL)ETHYL)OCTAHYDRO-1,4-DIHYDROXY-8-(HYDROXYMETHYL)-3,4A,8-TRIMETHYL-, (1S,3S,4R,4AS,8S,8AS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Y78418Z1UK

Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023

PRIMARY

PUBCHEM

21596487

Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023

PRIMARY

CAS

63543-36-2

Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023

PRIMARY

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