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Screening compounds

Didesmethylrocaglamide

Also known as (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-2-carboxamide, RocB

CAS 177262-30-5Formula C27H27NO7Molar mass 477.51 g/mol
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Didesmethylrocaglamide chemical structure, C27H27NO7, CAS 177262-30-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
177262-30-5
Formula
C27H27NO7
Molar mass
477.51 g/mol
HS code
293299
Category
Screening compounds

What is Didesmethylrocaglamide?

Plain description, key identifiers and synonyms

Didesmethylrocaglamide has been reported in Aglaia argentea, Aglaia perviridis, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
CAS number
177262-30-5
Molecular formula
C27H27NO7
InChIKey
RMNPQEWLGQURNX-PXIJUOARSA-N
InChI
InChI=1S/C27H27NO7/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(28)30)24(29)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3,(H2,28,30)/t21-,22-,24-,26+,27+/m1/s1
Canonical SMILES
COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(N)=O)C3c2ccccc2)cc1
Isomeric SMILES
COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5

Synonyms

  • (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
  • (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-2-carboxamide
  • RocB
  • Didesmethylrocaglamide?

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
477.51 g/molcalc.
Exact mass
477.1788 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
120.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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, c1ccc(C2CCC3c4ccccc4OC23c2ccccc2)cc1

c1ccc(C2CCC3c4ccccc4OC23c2ccccc2)cc1

5 rings, 24 atoms.

33 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.

Didesmethylrocaglamide suppliers

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Didesmethylrocaglamide 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 Didesmethylrocaglamide is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Didesmethylrocaglamide?

Didesmethylrocaglamide has been reported in Aglaia argentea, Aglaia perviridis, and other organisms.

What is the CAS number of Didesmethylrocaglamide?

The CAS registry number of Didesmethylrocaglamide is 177262-30-5.

What is the molecular formula and weight of Didesmethylrocaglamide?

The molecular formula of Didesmethylrocaglamide is C27H27NO7 and its molar mass is 477.51 g/mol.

What is Didesmethylrocaglamide used for?

Known uses and roles of Didesmethylrocaglamide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Didesmethylrocaglamide hazardous?

No GHS hazard classification for Didesmethylrocaglamide 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 Didesmethylrocaglamide?

Didesmethylrocaglamide is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Didesmethylrocaglamide?

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

What is the price of Didesmethylrocaglamide?

Suppliers quote Didesmethylrocaglamide 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 Didesmethylrocaglamide

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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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