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Screening compounds

Baccharin

Also known as (2E)-3-(3-(3-Methyl-2-buten-1-yl)-4-((3-phenylpropanoyl)oxy)phenyl)acrylic acid, (E)-3-(3-(3-methylbut-2-enyl)-4-(3-phenylpropanoyloxy)phenyl)prop-2-enoic acid, Benzenepropanoic acid, 4-((E)-2-carboxyethenyl)-2-(3-methyl-2-buten-1-yl)phenyl ester

CAS 61251-97-6Formula C29H38O11Molar mass 562.61 g/mol
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Baccharin chemical structure, C29H38O11, CAS 61251-97-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61251-97-6
Formula
C29H38O11
Molar mass
562.61 g/mol
HS code
293220
Category
Screening compounds

What is Baccharin?

Plain description, key identifiers and synonyms

baccharin has been reported in Baccharis megapotamica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S,4S,6R,9R,13S,15R,16S,19R,20E,22Z,26R,27S,28S)-16-hydroxy-19-[(1R)-1-hydroxyethyl]-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione
CAS number
61251-97-6 CAS number cross-checked
Molecular formula
C29H38O11
UNII
C616DV5Y11
InChIKey
DGBITFNXKQHKLI-IGAMYEMLSA-N
InChI
InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5+,8-6-/t15-,16-,17+,18-,19-,21+,22-,23-,25-,26-,27-,28-,29+/m1/s1
Canonical SMILES
CC(O)C1C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C4OC4(C)C(O)CO1)C2(C)C31CO1
Isomeric SMILES
C[C@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O

Synonyms

  • (2E)-3-(3-(3-Methyl-2-buten-1-yl)-4-((3-phenylpropanoyl)oxy)phenyl)acrylic acid
  • (E)-3-(3-(3-methylbut-2-enyl)-4-(3-phenylpropanoyloxy)phenyl)prop-2-enoic acid
  • Benzenepropanoic acid, 4-((E)-2-carboxyethenyl)-2-(3-methyl-2-buten-1-yl)phenyl ester
  • Baccharinoid B5
  • Baccharin b 5
  • (2's,3'r,4's,7'r,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-((1R)-1-hydroxyethyl)verrucarin a
  • Verrucarin a, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-((1R)-1-hydroxyethyl)-, (2's,3'r,4's,7'r,9R,10S)-
  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(R),9R,10S)-

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
562.61 g/molcalc.
Exact mass
562.2414 Dacalc.
LogP (octanol/water)
0.74calc.
Topological polar surface area
149.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
1calc.
Heavy atoms
40calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
13calc.
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, O=C1C=CC=CCOCCC2OC2C(=O)OCC23CCC4OC4C2OC2CC(O1)C3C21CO1

O=C1C=CC=CCOCCC2OC2C(=O)OCC23CCC4OC4C2OC2CC(O1)C3C21CO1

7 rings, 33 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.

Baccharin suppliers

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

Frequently asked questions

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

What is Baccharin?

baccharin has been reported in Baccharis megapotamica.

What is the CAS number of Baccharin?

The CAS registry number of Baccharin is 61251-97-6.

What is the molecular formula and weight of Baccharin?

The molecular formula of Baccharin is C29H38O11 and its molar mass is 562.61 g/mol.

What is Baccharin used for?

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

Is Baccharin hazardous?

No GHS hazard classification for Baccharin 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 Baccharin?

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

Where can I buy Baccharin?

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

What is the price of Baccharin?

Suppliers quote Baccharin 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 Baccharin

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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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