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Heterocyclic building blocks

Demethoxyrapamycin

Also known as Desmethoxyrapamycin, AY 24668, dihydroxy-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-methoxy-hexamethyl-[?]pentone

CAS 83482-58-0Formula C50H77NO12Molar mass 884.16 g/mol
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Demethoxyrapamycin chemical structure, C50H77NO12, CAS 83482-58-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83482-58-0
Formula
C50H77NO12
Molar mass
884.16 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Demethoxyrapamycin?

Plain description, key identifiers and synonyms

Demethoxyrapamycin is a chemical substance with the molecular formula C50H77NO12 and a molar mass of 884.16 g/mol. Its CAS registry number is 83482-58-0. The IUPAC name is (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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(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
CAS number
83482-58-0 CAS number cross-checked
Molecular formula
C50H77NO12
InChIKey
SRIDGLJAFSFWOP-XOPIUEIMSA-N
InChI
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+
Canonical SMILES
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)CC(=O)C(C)CC(C)C=CC=CC=C1C
Isomeric SMILES
CC1CCC2CC(/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

Synonyms

  • Desmethoxyrapamycin
  • AY 24668
  • dihydroxy-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-ethyl]-methoxy-hexamethyl-[?]pentone

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
884.16 g/molcalc.
Exact mass
883.5446 Dacalc.
LogP (octanol/water)
6.56calc.
Topological polar surface area
186.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
5calc.
Heavy atoms
63calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
14calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC=CCC(=O)CC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C(=O)C2CCCC(CCC=CC=CC=CCCC1)O2

O=C1CCC=CCC(=O)CC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C(=O)C2CCCC(CCC=CC=CC=CCCC1)O2

4 rings, 49 atoms.

78 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Demethoxyrapamycin suppliers

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Demethoxyrapamycin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Demethoxyrapamycin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Demethoxyrapamycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Demethoxyrapamycin, based on the data on this page

What is Demethoxyrapamycin?

Demethoxyrapamycin is a chemical substance with the molecular formula C50H77NO12 and a molar mass of 884.16 g/mol. Its CAS registry number is 83482-58-0.

What is the CAS number of Demethoxyrapamycin?

The CAS registry number of Demethoxyrapamycin is 83482-58-0.

What is the molecular formula and weight of Demethoxyrapamycin?

The molecular formula of Demethoxyrapamycin is C50H77NO12 and its molar mass is 884.16 g/mol.

What is Demethoxyrapamycin used for?

Known uses and roles of Demethoxyrapamycin include building blocks in research and laboratory.

Is Demethoxyrapamycin hazardous?

No GHS hazard classification for Demethoxyrapamycin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Demethoxyrapamycin?

Demethoxyrapamycin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demethoxyrapamycin?

Post a free request on CompoundList and suppliers of Demethoxyrapamycin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Demethoxyrapamycin?

Suppliers quote Demethoxyrapamycin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Demethoxyrapamycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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