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Heterocyclic building blocks

Gelsemiol

Also known as (3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one, (3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta(b)furan-2-one, (3R,3aS,4R,5S,6aS)-Hexahydro-3,4-bis(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one

CAS 110414-77-2Formula C10H16O4Molar mass 200.23 g/mol
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Gelsemiol chemical structure, C10H16O4, CAS 110414-77-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
110414-77-2
Formula
C10H16O4
Molar mass
200.23 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Gelsemiol?

Plain description, key identifiers and synonyms

(3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-hexahydrocyclopenta[b]furan-2-one has been reported in Gelsemium elegans, Verbena litoralis, and Gelsemium sempervirens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CAS number
110414-77-2
Molecular formula
C10H16O4
InChIKey
FNYPTQQTJGQJNF-BGKGJTHRSA-N
InChI
InChI=1S/C10H16O4/c1-5-2-8-9(6(5)3-11)7(4-12)10(13)14-8/h5-9,11-12H,2-4H2,1H3/t5-,6+,7-,8-,9-/m0/s1
Canonical SMILES
CC1CC2OC(=O)C(CO)C2C1CO
Isomeric SMILES
C[C@H]1C[C@H]2[C@@H]([C@@H]1CO)[C@@H](C(=O)O2)CO

Synonyms

  • (3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
  • (3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta(b)furan-2-one
  • (3R,3aS,4R,5S,6aS)-Hexahydro-3,4-bis(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one

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
200.23 g/molcalc.
Exact mass
200.1049 Dacalc.
LogP (octanol/water)
-0.22calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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=C1CC2CCCC2O1

O=C1CC2CCCC2O1

2 rings, 9 atoms, the Hexahydro-2H-cyclopenta[b]furan-2-one ring system.

54 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.

Gelsemiol suppliers

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

Frequently asked questions

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

What is Gelsemiol?

(3R,3aS,4R,5S,6aS)-3,4-bis(hydroxymethyl)-5-methyl-hexahydrocyclopenta[b]furan-2-one has been reported in Gelsemium elegans, Verbena litoralis, and Gelsemium sempervirens.

What is the CAS number of Gelsemiol?

The CAS registry number of Gelsemiol is 110414-77-2.

What is the molecular formula and weight of Gelsemiol?

The molecular formula of Gelsemiol is C10H16O4 and its molar mass is 200.23 g/mol.

What is Gelsemiol used for?

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

Is Gelsemiol hazardous?

No GHS hazard classification for Gelsemiol 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 Gelsemiol?

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

Where can I buy Gelsemiol?

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

What is the price of Gelsemiol?

Suppliers quote Gelsemiol 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 Gelsemiol

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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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