Pancratistatin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H15NO8
Molecular Weight	325.2708
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12NC(=O)C3=C(O)C4=C(OCO4)C=C3[C@@]1([H])[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O

InChI

InChIKey=VREZDOWOLGNDPW-ALTGWBOUSA-N

InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H15NO8
Molecular Weight	325.2708
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:55:07 GMT 2023` Edited by `admin` on `Sat Dec 16 12:55:07 GMT 2023`
Record UNII	4GUM4B7K5B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pancratistatin

Common Name

English

(+)-Pancratistatin

Common Name

English

NSC-349156

Code

English

Pancratistatine

Common Name

English

[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy-, [1R-(1α,2β,3α,4α,4aα,11bβ)]-

Systematic Name

English

(1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4,7-pentahydroxy[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one

Systematic Name

English

[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy-, (1R,2S,3S,4S,4aR,11bR)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501315881