22-HYDROXYL-17AAG

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H43N3O9
Molecular Weight	601.6878
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(CO)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=QDNATECXGMSJCC-FIRNZEAHSA-N

InChI=1S/C31H43N3O9/c1-7-11-33-26-21-12-17(2)13-25(42-6)27(37)18(3)14-19(4)29(43-31(32)40)24(41-5)10-8-9-20(16-35)30(39)34-22(28(21)38)15-23(26)36/h7-10,14-15,17-18,24-25,27,29,33,35,37H,1,11-13,16H2,2-6H3,(H2,32,40)(H,34,39)/b10-8-,19-14+,20-9+/t17-,18+,24+,25+,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H43N3O9
Molecular Weight	601.6878
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:57 GMT 2023` Edited by `admin` on `Sat Dec 16 16:11:57 GMT 2023`
Record UNII	AVY8ATP1VZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

22-HYDROXYL-17AAG

Common Name

English

17AAG METABOLITE M10

Common Name

English

GELDANAMYCIN, 17-DEMETHOXY-23-HYDROXY-17-(2-PROPEN-1-YLAMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

154584791

Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023

PRIMARY

CAS

929689-94-1

Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023

PRIMARY

FDA UNII

AVY8ATP1VZ

Created by admin on Sat Dec 16 16:11:57 GMT 2023 , Edited by admin on Sat Dec 16 16:11:57 GMT 2023

PRIMARY

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