Monodemethoxyrapamycin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H77NO12
Molecular Weight	884.1459
Optical Activity	( - )
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)CC(=O)[C@H](C)C[C@H](C)C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O

InChI

InChIKey=SRIDGLJAFSFWOP-OOPFJOAJSA-N

InChI=1S/C50H77NO12/c1-30-15-11-10-12-16-31(2)44(60-8)27-38-20-18-36(7)50(59,63-38)47(56)48(57)51-22-14-13-17-39(51)49(58)62-45(35(6)25-37-19-21-40(52)46(26-37)61-9)29-43(55)34(5)24-33(4)42(54)28-41(53)32(3)23-30/h10-12,15-16,24,30,32,34-40,42,44-46,52,54,59H,13-14,17-23,25-29H2,1-9H3/b12-10+,15-11-,31-16+,33-24-/t30-,32-,34-,35-,36-,37+,38+,39+,40-,42+,44+,45+,46-,50-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H77NO12
Molecular Weight	884.1459
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:40:45 GMT 2025` Edited by `admin` on `Wed Apr 02 17:40:45 GMT 2025`
Record UNII	Y88GUL3VZ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-27-Demethoxyrapamycin

Preferred Name

English

Monodemethoxyrapamycin

Systematic Name

English

Rapamycin, 32-demethoxy-

Systematic Name

English

32-Desmethoxyrapamycin

Systematic Name

English

32-Demethoxyrapamycin

Systematic Name

English

27-Demethoxyrapamycin

Systematic Name

English

(1R,9S,12S,15R,16Z,18S,21R,23S,24Z,30S,32S,35R)-1,18-Dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70860653

Created by admin on Wed Apr 02 17:40:45 GMT 2025 , Edited by admin on Wed Apr 02 17:40:45 GMT 2025

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FDA UNII

Y88GUL3VZ6

Created by admin on Wed Apr 02 17:40:45 GMT 2025 , Edited by admin on Wed Apr 02 17:40:45 GMT 2025

PRIMARY

PUBCHEM

122362213

Created by admin on Wed Apr 02 17:40:45 GMT 2025 , Edited by admin on Wed Apr 02 17:40:45 GMT 2025

PRIMARY

CAS

83482-58-0

Created by admin on Wed Apr 02 17:40:45 GMT 2025 , Edited by admin on Wed Apr 02 17:40:45 GMT 2025

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