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Screening compounds

Calbistrin C

CAS 147385-34-0Formula C31H42O8Molar mass 542.67 g/mol
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Calbistrin C chemical structure, C31H42O8, CAS 147385-34-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
147385-34-0
Formula
C31H42O8
Molar mass
542.67 g/mol
HS code
291819
Category
Screening compounds

What is Calbistrin C?

Plain description, key identifiers and synonyms

Calbistrin C is a monoterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E,6E,8E,10R,11S)-12-[[(1S,3S,7R,8R,8aS)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
CAS number
147385-34-0
Molecular formula
C31H42O8
InChIKey
VBTJSQZQYFMROV-CNLDLGIASA-N
InChI
InChI=1S/C31H42O8/c1-19(10-8-12-26(34)35)9-7-11-21(3)28(36)22(4)29(37)39-24-18-20(2)17-23-13-15-30(5,38)31(6,27(23)24)25(33)14-16-32/h7-13,15,17,20,22,24,27-28,32,36,38H,14,16,18H2,1-6H3,(H,34,35)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1
Canonical SMILES
CC(C=CC=C(C)C(O)C(C)C(=O)OC1CC(C)C=C2C=CC(C)(O)C(C)(C(=O)CCO)C21)=CC=CC(=O)O
Isomeric SMILES
C[C@H]1C[C@@H]([C@H]2C(=C1)C=C[C@@]([C@]2(C)C(=O)CCO)(C)O)OC(=O)[C@@H](C)[C@H](/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O

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
542.67 g/molcalc.
Exact mass
542.288 Dacalc.
LogP (octanol/water)
3.85calc.
Topological polar surface area
141.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
39calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1=CC2=CCCCC2CC1

C1=CC2=CCCCC2CC1

2 rings, 10 atoms.

100 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.

Calbistrin C suppliers

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Calbistrin C 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 Calbistrin C is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Calbistrin C, based on the data on this page

What is Calbistrin C?

Calbistrin C is a monoterpenoid.

What is the CAS number of Calbistrin C?

The CAS registry number of Calbistrin C is 147385-34-0.

What is the molecular formula and weight of Calbistrin C?

The molecular formula of Calbistrin C is C31H42O8 and its molar mass is 542.67 g/mol.

What is Calbistrin C used for?

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

Is Calbistrin C hazardous?

No GHS hazard classification for Calbistrin C 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 Calbistrin C?

Calbistrin C is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calbistrin C?

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

What is the price of Calbistrin C?

Suppliers quote Calbistrin C 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 Calbistrin C

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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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