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Screening compounds

Rabdoloxin B

Also known as (1R,2R,4R,9R,10S,11R,12R,13S,16R)-2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one, (1R,2R,4R,9R,10S,11R,12R,13S,16R)-2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecan-15-one

CAS 125456-65-7Formula C20H30O5Molar mass 350.46 g/mol
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Rabdoloxin B chemical structure, C20H30O5, CAS 125456-65-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
125456-65-7
Formula
C20H30O5
Molar mass
350.46 g/mol
HS code
291440
Category
Screening compounds

What is Rabdoloxin B?

Plain description, key identifiers and synonyms

rabdoloxin B has been reported in Isodon parvifolius, Isodon inflexus, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,4R,9R,10S,11R,12R,13S,16R)-2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
CAS number
125456-65-7
Molecular formula
C20H30O5
InChIKey
KULWEPZCKNERAS-XZSSXRBVSA-N
InChI
InChI=1S/C20H30O5/c1-9-12-13(22)14(23)15-19(4)7-5-6-18(2,3)10(19)8-11(21)20(15,16(9)24)17(12)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14+,15+,17-,19-,20-/m1/s1
Canonical SMILES
C=C1C(=O)C23C(O)CC4C(C)(C)CCCC4(C)C2C(O)C(O)C1C3O
Isomeric SMILES
C[C@@]12CCCC([C@H]1C[C@H]([C@]34[C@H]2[C@H]([C@@H]([C@H]([C@H]3O)C(=C)C4=O)O)O)O)(C)C

Synonyms

  • (1R,2R,4R,9R,10S,11R,12R,13S,16R)-2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
  • (1R,2R,4R,9R,10S,11R,12R,13S,16R)-2,11,12,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecan-15-one

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
350.46 g/molcalc.
Exact mass
350.2093 Dacalc.
LogP (octanol/water)
1.04calc.
Topological polar surface area
97.99 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.85calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C=C1C(=O)C23CCC4CCCCC4C2CCC1C3

C=C1C(=O)C23CCC4CCCCC4C2CCC1C3

4 rings, 18 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.

Rabdoloxin B suppliers

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Rabdoloxin B price

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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 Rabdoloxin B is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Guides for buyers

Practical guides that help when you source, ship or handle Rabdoloxin B

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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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