CUCURBITACIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H46O9
Molecular Weight	574.7022
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=IHTCCHVMPGDDSL-IVNGUWCNSA-N

InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H46O9
Molecular Weight	574.7022
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:35:03 GMT 2025` Edited by `admin` on `Mon Mar 31 22:35:03 GMT 2025`
Record UNII	83859MTO77
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CUCURBITACIN A

Common Name

English

NSC-94743

Preferred Name

English

CUCURBITACINE A

Common Name

English

19-NORLANOSTA-5,23-DIENE-3,11,22-TRIONE, 25-(ACETYLOXY)-2,16,20-TRIHYDROXY-9-(HYDROXYMETHYL)-, (2.BETA.,9.BETA.,10.ALPHA.,16.ALPHA.,23E)-

Systematic Name

English

Code System Code Type Description

NSC

94743