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Screening compounds

Phyllospinarone

Also known as (4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracen-8-one, (4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo(a)anthracen-8-one

CAS 1013025-95-0Formula C22H30O4Molar mass 358.48 g/mol
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Phyllospinarone chemical structure, C22H30O4, CAS 1013025-95-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1013025-95-0
Formula
C22H30O4
Molar mass
358.48 g/mol
HS code
291440
Category
Screening compounds

What is Phyllospinarone?

Plain description, key identifiers and synonyms

Phyllospinarone is an oxo steroid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracen-8-one
CAS number
1013025-95-0
Molecular formula
C22H30O4
InChIKey
NCQRNRZCIOFQIE-UTCGOKLKSA-N
InChI
InChI=1S/C22H30O4/c1-20(2)7-4-8-21(3)15-10-16-17(24)9-14(12-23)19(25)22(16,26)11-13(15)5-6-18(20)21/h9,18,23-24,26H,4-8,10-12H2,1-3H3/t18-,21+,22?/m0/s1
Canonical SMILES
CC1(C)CCCC2(C)C3=C(CCC12)CC1(O)C(=O)C(CO)=CC(O)=C1C3
Isomeric SMILES
C[C@]12CCCC([C@@H]1CCC3=C2CC4=C(C=C(C(=O)C4(C3)O)CO)O)(C)C

Synonyms

  • (4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracen-8-one
  • (4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo(a)anthracen-8-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
358.48 g/molcalc.
Exact mass
358.2144 Dacalc.
LogP (octanol/water)
3.75calc.
Topological polar surface area
77.76 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1C=CC=C2CC3=C(CCC4CCCCC34)CC12

O=C1C=CC=C2CC3=C(CCC4CCCCC34)CC12

4 rings, 19 atoms.

No other chemical in our database has 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.

Phyllospinarone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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

Frequently asked questions

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

What is Phyllospinarone?

Phyllospinarone is an oxo steroid.

What is the CAS number of Phyllospinarone?

The CAS registry number of Phyllospinarone is 1013025-95-0.

What is the molecular formula and weight of Phyllospinarone?

The molecular formula of Phyllospinarone is C22H30O4 and its molar mass is 358.48 g/mol.

What is Phyllospinarone used for?

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

Is Phyllospinarone hazardous?

No GHS hazard classification for Phyllospinarone 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 Phyllospinarone?

Phyllospinarone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phyllospinarone?

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

What is the price of Phyllospinarone?

Suppliers quote Phyllospinarone 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 Phyllospinarone

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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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