32-O-DESMETHYL TEMSIROLIMUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H85NO16
Molecular Weight	1016.2605
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 32-O-DESMETHYL TEMSIROLIMUS

Structure Search

SMILES

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](O)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]4CC[C@@H](OC(=O)C(C)(CO)CO)[C@@H](C4)OC

InChI

InChIKey=GBRCYSBMJYVEKY-ODPRKNHNSA-N

InChI=1S/C55H85NO16/c1-32-16-12-11-13-17-33(2)44(68-9)28-40-21-19-38(7)55(67,72-40)50(63)51(64)56-23-15-14-18-41(56)52(65)70-45(29-42(59)34(3)25-37(6)48(61)49(62)47(60)36(5)24-32)35(4)26-39-20-22-43(46(27-39)69-10)71-53(66)54(8,30-57)31-58/h11-13,16-17,25,32,34-36,38-41,43-46,48-49,57-58,61-62,67H,14-15,18-24,26-31H2,1-10H3/b13-11+,16-12+,33-17+,37-25+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,55-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H85NO16
Molecular Weight	1016.2605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:54:56 GMT 2023` Edited by `admin` on `Sat Dec 16 14:54:56 GMT 2023`
Record UNII	GE8RF914I4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

32-O-DESMETHYL TEMSIROLIMUS

Common Name

English

TEMSIROLIMUS METABOLITE M13

Common Name

English

RAPAMYCIN, 32-O-DEMETHYL-, 42-(3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

GE8RF914I4

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

CAS

952607-97-5

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

PUBCHEM

139593467

Created by admin on Sat Dec 16 14:54:56 GMT 2023 , Edited by admin on Sat Dec 16 14:54:56 GMT 2023

PRIMARY

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TEMSIROLIMUS

PARENT -> METABOLITE