ANACROTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23

InChI

InChIKey=NPYPUYCITBTPSF-TZCAYXSXSA-N

InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:34:17 GMT 2025` Edited by `admin` on `Mon Mar 31 19:34:17 GMT 2025`
Record UNII	WS4XLD79SV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANACROTINE

Common Name

English

NSC-114571

Preferred Name

English

(3Z,5R,6R,14R,14aS,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

Systematic Name

English

[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5281720