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Screening compounds

Spiranthesol

Also known as 6-[2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl]-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol, 6-(2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl)-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol

CAS 125263-69-6Formula C40H42O6Molar mass 618.77 g/mol
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Spiranthesol chemical structure, C40H42O6, CAS 125263-69-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
125263-69-6
Formula
C40H42O6
Molar mass
618.77 g/mol
HS code
290950
Category
Screening compounds

What is Spiranthesol?

Plain description, key identifiers and synonyms

Spiranthesol has been reported in Spiranthes vernalis and Spiranthes sinensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-[2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl]-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol
CAS number
125263-69-6
Molecular formula
C40H42O6
InChIKey
HXPPUWDAQKHJLL-UHFFFAOYSA-N
InChI
InChI=1S/C40H42O6/c1-21(2)7-11-28-26-13-10-24-18-35(46-6)38(40(44)37(24)29(26)15-16-33(28)41)32-20-31-27(30(39(32)43)12-8-22(3)4)14-9-23-17-25(45-5)19-34(42)36(23)31/h7-8,15-20,41-44H,9-14H2,1-6H3
SMILES (canonical and isomeric)
CC(=CCC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)O)C4=C(C(=C5CCC6=C(C5=C4)C(=CC(=C6)OC)O)CC=C(C)C)O)OC)O)C

Synonyms

  • 6-[2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl]-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol
  • 6-(2,5-dihydroxy-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthren-3-yl)-7-methoxy-1-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol

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
618.77 g/molcalc.
Exact mass
618.2981 Dacalc.
LogP (octanol/water)
8.74calc.
Topological polar surface area
99.38 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
46calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, c1ccc2c(c1)CCc1ccc(-c3ccc4c(c3)-c3ccccc3CC4)cc1-2

c1ccc2c(c1)CCc1ccc(-c3ccc4c(c3)-c3ccccc3CC4)cc1-2

6 rings, 28 atoms.

1 other chemical 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.

Spiranthesol suppliers

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Spiranthesol 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 Spiranthesol is traded under.

HS 2909.50Indicative HS code

Ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or…

World exports in 2024
$284M
+11.9% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. India * partner reported32.9%
  2. Indonesia17.7%
  3. France * partner reported11.2%
Top importers
  1. China20.7%
  2. United States12.0%
  3. Brazil6.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Spiranthesol?

Spiranthesol has been reported in Spiranthes vernalis and Spiranthes sinensis.

What is the CAS number of Spiranthesol?

The CAS registry number of Spiranthesol is 125263-69-6.

What is the molecular formula and weight of Spiranthesol?

The molecular formula of Spiranthesol is C40H42O6 and its molar mass is 618.77 g/mol.

What is Spiranthesol used for?

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

Is Spiranthesol hazardous?

No GHS hazard classification for Spiranthesol 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 Spiranthesol?

Spiranthesol is usually classified under HS code 290950 (Ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Spiranthesol?

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What is the price of Spiranthesol?

Suppliers quote Spiranthesol 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 Spiranthesol

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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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