ANABSINTHIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H40O6.H2O
Molecular Weight	514.6503
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@@]12CC[C@](C)(O)[C@@]3([H])C(=C(C)[C@@]4([H])[C@]3([H])[C@H]5C[C@]6(C)O[C@@]7(C)CC[C@@]8([H])[C@H](C)C(=O)O[C@]8([H])[C@@]46[C@@]57[H])[C@@]1([H])OC(=O)[C@H]2C

InChI

InChIKey=PJEUNUHNCWNEFU-PCQGFWSPSA-N

InChI=1S/C30H40O6.H2O/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30;/h12-13,15-17,19-24,33H,7-11H2,1-6H3;1H2/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H40O6
Molecular Weight	496.635
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:25:44 GMT 2023`
Record UNII	9H6DUU1659
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANABSINTHIN MONOHYDRATE

Common Name

English

ANABSINTHIN MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

9H6DUU1659

Created by admin on Sat Dec 16 08:25:44 GMT 2023 , Edited by admin on Sat Dec 16 08:25:44 GMT 2023

PRIMARY

PUBCHEM

76957635

Created by admin on Sat Dec 16 08:25:44 GMT 2023 , Edited by admin on Sat Dec 16 08:25:44 GMT 2023

PRIMARY

MERCK INDEX

m1883

Created by admin on Sat Dec 16 08:25:44 GMT 2023 , Edited by admin on Sat Dec 16 08:25:44 GMT 2023

PRIMARY

Merck Index

Related Record Type Details


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ANABSINTHIN

ANHYDROUS->SOLVATE