CUCURBITACIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O8
Molecular Weight	560.7187
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O

InChI

InChIKey=DGIGXLXLGBAJJN-XOMTXOPZSA-N

InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23-,26+,29+,30-,31+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O8
Molecular Weight	560.7187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:14:32 GMT 2023` Edited by `admin` on `Sat Dec 16 09:14:32 GMT 2023`
Record UNII	938A8MM70H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CUCURBITACIN C

Common Name

English

NSC-94744

Code

English

19-NORLANOSTA-5,23-DIENE-11,22-DIONE, 25-(ACETYLOXY)-3,16,20-TRIHYDROXY-9-(HYDROXYMETHYL)-, (3.BETA.,9.BETA.,10.ALPHA.,16.ALPHA.,23E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

938A8MM70H