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Screening compounds

Baccharisol

Also known as Baccharinoid B 7, Verrucarin A, 7'-deoxo-8-hydroxy-7'-((1S)-1-hydroxyethyl)-, (2'R,7'R,8R)-, Verrucarin A, 7'-deoxo-8-hydroxy-7'-(1-hydroxyethyl)-, (2'R,7'R(R),8R)-

CAS 71718-23-5Formula C29H40O10Molar mass 548.63 g/mol
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Baccharisol chemical structure, C29H40O10, CAS 71718-23-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71718-23-5
Formula
C29H40O10
Molar mass
548.63 g/mol
HS code
293220
Category
Screening compounds

What is Baccharisol?

Plain description, key identifiers and synonyms

baccharisol has been reported in Baccharis megapotamica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3R,6R,8R,12S,13R,17R,18E,20Z,24R,25S,26S)-6,12-dihydroxy-17-[(1S)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione
CAS number
71718-23-5
Molecular formula
C29H40O10
UNII
YNK989993G
InChIKey
GVZIONLFUHXCGG-FNZSONIPSA-N
InChI
InChI=1S/C29H40O10/c1-16-9-10-35-20(18(3)30)7-5-6-8-24(32)39-21-12-23-29(15-37-29)27(21,4)28(14-36-26(34)25(16)33)13-19(31)17(2)11-22(28)38-23/h5-8,11,16,18-23,25,30-31,33H,9-10,12-15H2,1-4H3/b7-5+,8-6-/t16-,18+,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1
Canonical SMILES
CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1
Isomeric SMILES
C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(C[C@H](C(=C[C@H]5O3)C)O)COC(=O)[C@H]1O)C)CO4)[C@H](C)O

Synonyms

  • Baccharinoid B 7
  • Verrucarin A, 7'-deoxo-8-hydroxy-7'-((1S)-1-hydroxyethyl)-, (2'R,7'R,8R)-
  • Verrucarin A, 7'-deoxo-8-hydroxy-7'-(1-hydroxyethyl)-, (2'R,7'R(R),8R)-

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
548.63 g/molcalc.
Exact mass
548.2621 Dacalc.
LogP (octanol/water)
1.36calc.
Topological polar surface area
144.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
1calc.
Heavy atoms
39calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
11calc.
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, O=C1C=CC=CCOCCCCC(=O)OCC23CCC=CC2OC2CC(O1)C3C21CO1

O=C1C=CC=CCOCCCCC(=O)OCC23CCC=CC2OC2CC(O1)C3C21CO1

5 rings, 31 atoms.

8 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.

Baccharisol suppliers

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Baccharisol 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 Baccharisol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Baccharisol?

baccharisol has been reported in Baccharis megapotamica.

What is the CAS number of Baccharisol?

The CAS registry number of Baccharisol is 71718-23-5.

What is the molecular formula and weight of Baccharisol?

The molecular formula of Baccharisol is C29H40O10 and its molar mass is 548.63 g/mol.

What is Baccharisol used for?

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

Is Baccharisol hazardous?

No GHS hazard classification for Baccharisol 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 Baccharisol?

Baccharisol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Baccharisol?

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What is the price of Baccharisol?

Suppliers quote Baccharisol 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 Baccharisol

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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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