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Screening compounds

Obtusol

Also known as (3R,4S,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro(5.5)undecan-3-ol, (3R,4S,6S,9S,10S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro(5.5)undecan-3-ol

CAS 73494-22-1Formula C15H23Br2ClOMolar mass 414.61 g/mol
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Obtusol chemical structure, C15H23Br2ClO, CAS 73494-22-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
73494-22-1
Formula
C15H23Br2ClO
Molar mass
414.61 g/mol
HS code
290619
Category
Screening compounds

What is Obtusol?

Plain description, key identifiers and synonyms

(2S,3R,6S,8R,9R)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol has been reported in Laurencia majuscula, Aplysia dactylomela, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4S,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
CAS number
73494-22-1
Molecular formula
C15H23Br2ClO
InChIKey
JPQFUHCOKXIWBB-FWZIUSJTSA-N
InChI
InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(16)13(2,3)15(9)6-5-14(4,17)11(18)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11-,12-,14-,15+/m1/s1
Canonical SMILES
C=C1CC(O)C(Br)C(C)(C)C12CCC(C)(Br)C(Cl)C2
Isomeric SMILES
C[C@]1(CC[C@]2(C[C@H]1Cl)C(=C)C[C@H]([C@H](C2(C)C)Br)O)Br

Synonyms

  • (3R,4S,6S,9R,10R)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro(5.5)undecan-3-ol
  • (3R,4S,6S,9S,10S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro(5.5)undecan-3-ol

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
414.61 g/molcalc.
Exact mass
411.9804 Dacalc.
LogP (octanol/water)
5.03calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
19calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
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, C=C1CCCCC12CCCCC2

C=C1CCCCC12CCCCC2

2 rings, 12 atoms, the 1-Methylenespiro[5.5]undecane ring system.

6 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.

Obtusol suppliers

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Obtusol 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 Obtusol is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Obtusol?

(2S,3R,6S,8R,9R)-2,9-dibromo-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol has been reported in Laurencia majuscula, Aplysia dactylomela, and other organisms.

What is the CAS number of Obtusol?

The CAS registry number of Obtusol is 73494-22-1.

What is the molecular formula and weight of Obtusol?

The molecular formula of Obtusol is C15H23Br2ClO and its molar mass is 414.61 g/mol.

What is Obtusol used for?

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

Is Obtusol hazardous?

No GHS hazard classification for Obtusol 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 Obtusol?

Obtusol is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Obtusol?

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

What is the price of Obtusol?

Suppliers quote Obtusol 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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