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

CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12

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 `Mon Mar 31 21:58:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:45 GMT 2025`
Record UNII	EGX9ZFG846
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Nardostachin, (-)-

Common Name

English

(-)-Nardostachin

Preferred 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-(1?,4a?,6?,7?,7a?)]-

Common Name

English

NARDOSTACHIN

Common Name

English

Code System Code Type Description

CAS

114687-82-0

Created by admin on Mon Mar 31 21:58:45 GMT 2025 , Edited by admin on Mon Mar 31 21:58:45 GMT 2025

PRIMARY

FDA UNII

EGX9ZFG846

Created by admin on Mon Mar 31 21:58:45 GMT 2025 , Edited by admin on Mon Mar 31 21:58:45 GMT 2025

PRIMARY

PUBCHEM

196699

Created by admin on Mon Mar 31 21:58:45 GMT 2025 , Edited by admin on Mon Mar 31 21:58:45 GMT 2025

PRIMARY

EPA CompTox

DTXSID80150830

Created by admin on Mon Mar 31 21:58:45 GMT 2025 , Edited by admin on Mon Mar 31 21:58:45 GMT 2025

PRIMARY