GRANTIANINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23NO7
Molecular Weight	365.3777
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@H]2C(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@](C)(O)[C@@]2(C)OC1=O)[C@H]34

InChI

InChIKey=HAFTVEPNLRPRIQ-RMXYYGFTSA-N

InChI=1S/C18H23NO7/c1-9-12-15(21)25-11-5-7-19-6-4-10(13(11)19)8-24-16(22)17(2,23)18(12,3)26-14(9)20/h4,9,11-13,23H,5-8H2,1-3H3/t9-,11-,12+,13-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H23NO7
Molecular Weight	365.3777
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 `Mon Mar 31 23:09:41 GMT 2025` Edited by `admin` on `Mon Mar 31 23:09:41 GMT 2025`
Record UNII	JGX164EUXC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRANTIANINE

Common Name

English

8H-FURO(2',3':9,10)(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-8,11,13-TRIONE, 1,2,4,6,9,9A,12,12A,14A,14B-DECAHYDRO-9-HYDROXY-9,9A,12-TRIMETHYL-, (9R,9AS,12R,12AR,14AR,14BR)-

Preferred Name

English

8H-FURO(2',3':9,10)(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-8,11,13-TRIONE, 1,2,4,6,9,9A,12,12A,14A,14B-DECAHYDRO-9-HYDROXY-9,9A,12-TRIMETHYL-, (9R-(9R*,9AS*,12R*,12AR*,14AR*,14BR*))-

Systematic Name

English

CROTALANAN-19-CARBOXYLIC ACID, 14,19-DIHYDRO-12,13-DIHYDROXY-11,15-DIOXO-, .GAMMA.-LACTONE, (13.ALPHA.,14.ALPHA.,19R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119026130

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

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EPA CompTox

DTXSID101098946

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

PRIMARY

FDA UNII

JGX164EUXC

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

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CAS

633-10-3

Created by admin on Mon Mar 31 23:09:41 GMT 2025 , Edited by admin on Mon Mar 31 23:09:41 GMT 2025

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