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Glycosides and other natural products

Isostevioside

CAS 1058600-89-7Formula C38H60O18Molar mass 804.88 g/mol
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Isostevioside chemical structure, C38H60O18, CAS 1058600-89-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1058600-89-7
Formula
C38H60O18
Molar mass
804.88 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Isostevioside?

Plain description, key identifiers and synonyms

Isostevioside is a chemical substance with the molecular formula C38H60O18 and a molar mass of 804.88 g/mol. Its CAS registry number is 1058600-89-7. The IUPAC name is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9S,10S,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9S,10S,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
CAS number
1058600-89-7
Molecular formula
C38H60O18
InChIKey
VPADKMHUKIHBNJ-HYDKPPNVSA-N
InChI
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h11,17-33,39-49H,4-10,12-15H2,1-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
Canonical SMILES
CC1=CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3
Isomeric SMILES
CC1=C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(CCC[C@@]4(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C

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
804.88 g/molcalc.
Exact mass
804.378 Dacalc.
LogP (octanol/water)
-2.94calc.
Topological polar surface area
295 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
9calc.
Heavy atoms
56calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
21calc.
Lipinski rule of five
Fails (3 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=C(OC1CCCCO1)C1CCCC2C1CCC13C=CC(OC4OCCCC4OC4CCCCO4)(CCC21)C3

O=C(OC1CCCCO1)C1CCCC2C1CCC13C=CC(OC4OCCCC4OC4CCCCO4)(CCC21)C3

7 rings, 39 atoms.

No other chemical in our database has 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.

Isostevioside suppliers

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Isostevioside 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

Industries and functions

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 Isostevioside is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isostevioside?

Isostevioside is a chemical substance with the molecular formula C38H60O18 and a molar mass of 804.88 g/mol. Its CAS registry number is 1058600-89-7.

What is the CAS number of Isostevioside?

The CAS registry number of Isostevioside is 1058600-89-7.

What is the molecular formula and weight of Isostevioside?

The molecular formula of Isostevioside is C38H60O18 and its molar mass is 804.88 g/mol.

What is Isostevioside used for?

Known uses and roles of Isostevioside include tackifiers in adhesives and sealants.

Is Isostevioside hazardous?

No GHS hazard classification for Isostevioside 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 Isostevioside?

Isostevioside is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isostevioside?

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

What is the price of Isostevioside?

Suppliers quote Isostevioside 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 Isostevioside

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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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