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Screening compounds

Caesalpine B

Also known as Methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

CAS 1616757-60-8Formula C23H30O7Molar mass 418.49 g/mol
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Caesalpine B chemical structure, C23H30O7, CAS 1616757-60-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1616757-60-8
Formula
C23H30O7
Molar mass
418.49 g/mol
HS code
293299
Category
Screening compounds

What is Caesalpine B?

Plain description, key identifiers and synonyms

Caesalpine B is a chemical substance with the molecular formula C23H30O7 and a molar mass of 418.49 g/mol. Its CAS registry number is 1616757-60-8. The IUPAC name is methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
CAS number
1616757-60-8
Molecular formula
C23H30O7
InChIKey
WRVBJIVZZAJHJM-ANLLKEILSA-N
InChI
InChI=1S/C23H30O7/c1-12(24)30-16-11-23(27)21(2,3)8-6-17(25)22(23,4)14-10-15-13(7-9-29-15)18(19(14)16)20(26)28-5/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3/t14-,16-,18+,19-,22-,23+/m0/s1
Canonical SMILES
COC(=O)C1c2ccoc2CC2C1C(OC(C)=O)CC1(O)C(C)(C)CCC(=O)C21C
Isomeric SMILES
CC(=O)O[C@H]1C[C@@]2([C@@]([C@@H]3[C@@H]1[C@@H](C4=C(C3)OC=C4)C(=O)OC)(C(=O)CCC2(C)C)C)O

Synonyms

  • Methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

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
418.49 g/molcalc.
Exact mass
418.1992 Dacalc.
LogP (octanol/water)
2.79calc.
Topological polar surface area
103 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
6calc.
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, O=C1CCCC2CCC3Cc4ccoc4CC3C12

O=C1CCCC2CCC3Cc4ccoc4CC3C12

4 rings, 18 atoms.

3 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.

Caesalpine B suppliers

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

Frequently asked questions

Quick answers about Caesalpine B, based on the data on this page

What is Caesalpine B?

Caesalpine B is a chemical substance with the molecular formula C23H30O7 and a molar mass of 418.49 g/mol. Its CAS registry number is 1616757-60-8. The IUPAC name is methyl (4aR,6S,6aR,7S,11aS,11bR)-6-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate.

What is the CAS number of Caesalpine B?

The CAS registry number of Caesalpine B is 1616757-60-8.

What is the molecular formula and weight of Caesalpine B?

The molecular formula of Caesalpine B is C23H30O7 and its molar mass is 418.49 g/mol.

What is Caesalpine B used for?

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

Is Caesalpine B hazardous?

No GHS hazard classification for Caesalpine B 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 Caesalpine B?

Caesalpine B 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 Caesalpine B?

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

What is the price of Caesalpine B?

Suppliers quote Caesalpine B 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

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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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