Everolimus-19-ene open ring

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H83NO14
Molecular Weight	958.2244
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure of Everolimus-19-ene open ring

Structure Search

SMILES

CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N2CCCC[C@H]2C(O)=O)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)\C=C\[C@H](C)C[C@@H]3CC[C@@H](OCCO)[C@@H](C3)OC

InChI

InChIKey=PRSJHEVLVQFMHJ-FRLQEACCSA-N

InChI=1S/C53H83NO14/c1-33(16-12-11-13-17-35(3)45(64-8)32-41-22-20-39(7)53(63,68-41)50(59)51(60)54-25-15-14-18-42(54)52(61)62)28-37(5)47(57)49(66-10)48(58)38(6)30-36(4)43(56)23-19-34(2)29-40-21-24-44(67-27-26-55)46(31-40)65-9/h11-13,16-17,19,23,30,33-34,36-37,39-42,44-46,48-49,55,58,63H,14-15,18,20-22,24-29,31-32H2,1-10H3,(H,61,62)/b13-11+,16-12+,23-19+,35-17+,38-30+/t33-,34+,36-,37-,39-,40+,41+,42+,44-,45+,46-,48-,49+,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H83NO14
Molecular Weight	958.2244
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:27 UTC 2023` Edited by `admin` on `Sat Dec 16 18:59:27 UTC 2023`
Record UNII	QAQ4Q483BA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Everolimus-19-ene open ring

Common Name

English

(S)-1-{2-[(2R,3R,6S)-2-Hydroxy-6-{(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaen-1-yl}-3-methyltetrahydro-2H-

Systematic Name

English

Everolimus EP Impurity B (Acid)

Common Name

English

2-Piperidinecarboxylic acid, 1-[2-oxo-2-[(2R,3R,6S)-tetrahydro-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-

Systematic Name

English

Code System Code Type Description

CAS

1062122-63-7

Created by admin on Sat Dec 16 18:59:27 UTC 2023 , Edited by admin on Sat Dec 16 18:59:27 UTC 2023

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PUBCHEM

139025362

Created by admin on Sat Dec 16 18:59:27 UTC 2023 , Edited by admin on Sat Dec 16 18:59:27 UTC 2023

PRIMARY

FDA UNII

QAQ4Q483BA

Created by admin on Sat Dec 16 18:59:27 UTC 2023 , Edited by admin on Sat Dec 16 18:59:27 UTC 2023

PRIMARY

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