AFFINISINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N2O
Molecular Weight	308.4174
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=C(N(C)C4=CC=CC=C34)[C@]5([H])C[C@H]([C@H]1CO)\C(C[N@]25)=C/C

InChI

InChIKey=UVWQYWHKTZABSO-ILADVTTDSA-N

InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H24N2O
Molecular Weight	308.4174
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 `Sat Dec 16 17:13:24 GMT 2023` Edited by `admin` on `Sat Dec 16 17:13:24 GMT 2023`
Record UNII	J96TYR7CHG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFFINISINE

Common Name

English

DE(HYDROXYMETHYL)VOACHALOTINOL

Systematic Name

English

SARPAGAN-17-OL, 1-METHYL-

Systematic Name

English

1-METHYLSARPAGAN-17-OL

Systematic Name

English

(+)-Affinisine

Common Name

English

[(1S,12S,13R,14R,15E)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0{2,10}.0{4,9}.0{12,17}]octadeca-2(10),4,6,8-tetraen-13-yl]methanol

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID201045726