GYMNODIMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H45NO4
Molecular Weight	507.704
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC(=O)C(C)=C1)C2=C(C)[C@]3([H])\C=C(C)\[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)\C(C)=C\CCC5=NCCC[C@]35CC2

InChI

InChIKey=DVXZVCNEGRKLMW-RPGUUIFVSA-N

InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H45NO4
Molecular Weight	507.704
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:38:47 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:47 GMT 2023`
Record UNII	7TV3J97IT8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GYMNODIMINE

Common Name

English

GYM A [HSDB]

Common Name

English

2(5H)-FURANONE, 3-METHYL-5-(2,3,5,6,9,10,11,12,13,14,15,17A,20,21-TETRADECAHYDRO-15-HYDROXY-8,10,16,18-TETRAMETHYL-9,12-EPOXY-1H-BENZO(2,3)CYCLOHEXADECA(1,2-B)PYRIDIN-19-YL)-, (9R-(7E,9R*,10R*,12R*,15S*,16E,17AS*,19(S*),21AR*))-

Systematic Name

English

(-)-GYMNODIMINE

Common Name

English

GYMNODIMINE A

Common Name

English

2(5H)-FURANONE, 3-METHYL-5-((7E,9R,10R,12R,15S,16E,17AS,21AR)-2,3,5,6,9,10,11,12,13,14,15,17A,20,21-TETRADECAHYDRO-15-HYDROXY-8,10,16,18-TETRAMETHYL-9,12-EPOXY-1H-BENZO(2,3)CYCLOHEXADECA(1,2-B)PYRIDIN-19-YL)-, (5S)-

Systematic Name

English

Code System Code Type Description

CAS

173792-58-0