Pinnatifidin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H18O3
Molecular Weight	246.3016
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pinnatifidin

Structure Search

SMILES

CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12

InChI

InChIKey=VTEFIBXQBGMXNK-QVHKTLOISA-N

InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Pinnatifidin

Common Name

English

NSC-85234

Preferred Name

English

3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione, (3aR,4aR,8aS,9aR)-

Systematic Name

English

Naphtho[2,3-b]furan-2,7-dione, 3,3a,4,4a,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,4aR,8aS,9aR)-

Systematic Name

English

(3aR,4aR,8aS,9aR)-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione

Systematic Name

English

Code System Code Type Description

PUBCHEM

73465

Created by admin on Tue Apr 01 19:58:52 GMT 2025 , Edited by admin on Tue Apr 01 19:58:52 GMT 2025

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FDA UNII

AU8WR99KFG

Created by admin on Tue Apr 01 19:58:52 GMT 2025 , Edited by admin on Tue Apr 01 19:58:52 GMT 2025

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CAS

35730-85-9

Created by admin on Tue Apr 01 19:58:52 GMT 2025 , Edited by admin on Tue Apr 01 19:58:52 GMT 2025

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NSC

85234

Created by admin on Tue Apr 01 19:58:52 GMT 2025 , Edited by admin on Tue Apr 01 19:58:52 GMT 2025

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EPA CompTox

DTXSID80957144

Created by admin on Tue Apr 01 19:58:52 GMT 2025 , Edited by admin on Tue Apr 01 19:58:52 GMT 2025

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SUBSTANCE RECORD


					AU8WR99KFG