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Screening compounds

(+)-Rocaglamide

Also known as US10085988, Compound (+) Roc-A

CAS 1699754-37-4Formula C29H31NO7Molar mass 505.57 g/mol
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(+)-Rocaglamide chemical structure, C29H31NO7, CAS 1699754-37-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1699754-37-4
Formula
C29H31NO7
Molar mass
505.57 g/mol
HS code
293299
Category
Screening compounds

What is (+)-Rocaglamide?

Plain description, key identifiers and synonyms

(+)-Rocaglamide is a chemical substance with the molecular formula C29H31NO7 and a molar mass of 505.57 g/mol. Its CAS registry number is 1699754-37-4. The IUPAC name is (1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
CAS number
1699754-37-4
Molecular formula
C29H31NO7
InChIKey
DAPAQENNNINUPW-LUQUYTNASA-N
InChI
InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m0/s1
Canonical SMILES
COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)N(C)C)C3c2ccccc2)cc1
Isomeric SMILES
CN(C)C(=O)[C@H]1[C@@H]([C@@]2([C@]([C@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5

Synonyms

  • US10085988, Compound (+) Roc-A

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
505.57 g/molcalc.
Exact mass
505.2101 Dacalc.
LogP (octanol/water)
3.05calc.
Topological polar surface area
97.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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.

(+)-Rocaglamide suppliers

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(+)-Rocaglamide 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 (+)-Rocaglamide 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 (+)-Rocaglamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (+)-Rocaglamide, based on the data on this page

What is (+)-Rocaglamide?

(+)-Rocaglamide is a chemical substance with the molecular formula C29H31NO7 and a molar mass of 505.57 g/mol. Its CAS registry number is 1699754-37-4. The IUPAC name is (1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide.

What is the CAS number of (+)-Rocaglamide?

The CAS registry number of (+)-Rocaglamide is 1699754-37-4.

What is the molecular formula and weight of (+)-Rocaglamide?

The molecular formula of (+)-Rocaglamide is C29H31NO7 and its molar mass is 505.57 g/mol.

What is (+)-Rocaglamide used for?

Known uses and roles of (+)-Rocaglamide include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (+)-Rocaglamide hazardous?

No GHS hazard classification for (+)-Rocaglamide 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 (+)-Rocaglamide?

(+)-Rocaglamide 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 (+)-Rocaglamide?

Post a free request on CompoundList and suppliers of (+)-Rocaglamide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (+)-Rocaglamide?

Suppliers quote (+)-Rocaglamide 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 (+)-Rocaglamide

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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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