Nimbolide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30O7
Molecular Weight	466.5229
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](C3=COC=C3)C(C)=C1[C@@]4(C)[C@H](CC(=O)OC)[C@@]5(C)C(=O)C=C[C@@]6(C)C(=O)O[C@@]([H])([C@@]4([H])O2)[C@]56[H]

InChI

InChIKey=JZIQWNPPBKFOPT-LSYMHUITSA-N

InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16-,17-,21-,22+,23-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O7
Molecular Weight	466.5229
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:42 GMT 2023` Edited by `admin` on `Sat Dec 16 09:34:42 GMT 2023`
Record UNII	N993G4LGD6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nimbolide

Common Name

English

2H,5H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 8α-(3-furyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester

Common Name

English

methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0{2,9}.0{4,8}.0{15,18}]octadeca-7,13-dien-10-yl]acetate

Systematic Name

English

NSC-309909

Code

English

2H,5H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 8-(3-furanyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester, (2aR,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-

Common Name

English

18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-, γ-lactone, methyl ester, (4α,5α,6α,7α,15β,17α)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20948894