CALLYSTATIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H44O4
Molecular Weight	456.6573
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(C)\C=C\C[C@@H](C)\C=C(CC)/C=C/[C@H]1CC=CC(=O)O1

InChI

InChIKey=QPJTWGLLJWBDQW-KMMMXHTBSA-N

InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H44O4
Molecular Weight	456.6573
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:27:29 GMT 2025` Edited by `admin` on `Wed Apr 02 09:27:29 GMT 2025`
Record UNII	ZLK7N2R2D6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R)-6-((1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ETHYL-14-HYDROXY-5,9,11,13,15-PENTAMETHYL-12-OXO-1,3,7,9-HEPTADECATETRAEN-1-YL)-5,6-DIHYDRO-2H-PYRAN-2-ONE

Preferred Name

English

CALLYSTATIN A

Common Name

English

2H-PYRAN-2-ONE, 6-((1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ETHYL-14-HYDROXY-5,9,11,13,15-PENTAMETHYL-12-OXO-1,3,7,9-HEPTADECATETRAEN-1-YL)-5,6-DIHYDRO-, (6R)-

Systematic Name

English

2H-PYRAN-2-ONE, 6-(3-ETHYL-14-HYDROXY-5,9,11,13,15-PENTAMETHYL-12-OXO-1,3,7,9-HEPTADECATETRAENYL)-5,6-DIHYDRO-, (6R-(6R*(1E,3Z,5R*,7E,9E,11R*,13S*,14R*,15S*)))-

Systematic Name

English

Code System Code Type Description

CAS

189883-16-7