Nardostachin, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O6
Molecular Weight	368.4645
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@H](OC(=O)CC(C)C)OC=C2COC(=O)CC(C)C

InChI

InChIKey=XNBHVNRFMHXLMZ-ODLFONTESA-N

InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O6
Molecular Weight	368.4645
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 `Sat Dec 16 08:16:43 GMT 2023` Edited by `admin` on `Sat Dec 16 08:16:43 GMT 2023`
Record UNII	EGX9ZFG846
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nardostachin, (-)-

Common Name

English

(-)-Nardostachin

Common Name

English

[(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

Systematic Name

English

Butanoic acid, 3-methyl-, [(1S,4aS,6S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester

Common Name

English

Butanoic acid, 3-methyl-, [1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester, [1S-(1α,4aα,6α,7α,7aα)]-

Common Name

English

NARDOSTACHIN

Common Name

English

Code System Code Type Description

CAS

114687-82-0

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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FDA UNII

EGX9ZFG846

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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PUBCHEM

196699

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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EPA CompTox

DTXSID80150830

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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