Identita

27-demethoxyrapamycin

CAS 83482-58-0 · C50H77NO12

01Identita

Lazychem IDLC-04353
CAS RN83482-58-0
PubChem CID6441963
Molecular formulaC50H77NO12
Molecular weight884.2 g/mol
IUPAC name27-demethoxyrapamycin
InChIKeySRIDGLJAFSFWOP-XOPIUEIMSA-N

02Struktura a stereochemie

2D structurePubChem CID 6441963
Two-dimensional chemical structure of 27-demethoxyrapamycin, CAS 83482-58-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC1CCC2CC(/C(=C/C=C/C=C/C(CC(C(=O)CC(/C(=C/C(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)/C)O)C)C)/C)OC
InChINeuvedeno

03Stereochemistry

The published structure contains 0 defined and 14 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres14Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16,384Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Rapamycin

Nečistoty a související sloučeniny

Názvy a vztahy

  • Demethoxyrapamycin
  • DTXSID70860653
  • AY-24668
  • 83482-58-0
  • RefChem:919832
  • DTXCID201511395
  • Desmethoxyrapamycin
  • SRIDGLJAFSFWOP-XOPIUEIMSA-N
  • (16E,24E,26E,28E)-1,18-dihydroxy-12-[1-(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-pentone
  • WAY-24688
  • dihydroxy-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-methoxy-hexamethyl-[?]pentone
  • (7E,15E,17E,19E)-9,27-Dihydroxy-3-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-21-methoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone

Nečistoty a související sloučeniny

06Zdroje