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Steroids and sterols

Urechitoxin

Also known as Oleandrigen + L-oleandrose + D-glucose, 16-(Acetyloxy)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, 16beta-(Acetyloxy)-3beta-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide

CAS 56774-61-9Formula C38H58O14Molar mass 738.87 g/mol
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Urechitoxin chemical structure, C38H58O14, CAS 56774-61-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56774-61-9
Formula
C38H58O14
Molar mass
738.87 g/mol
HS code
293890
Category
Steroids and sterols

What is Urechitoxin?

Plain description, key identifiers and synonyms

Urechitoxin has been reported in Nerium oleander.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
CAS number
56774-61-9 CAS number cross-checked
Molecular formula
C38H58O14
InChIKey
ITYAEKHTQKSNBZ-LZDXGJHISA-N
InChI
InChI=1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21+,22-,23-,24+,25-,26-,27+,29-,30-,31+,32-,33+,34-,35-,36-,37+,38-/m0/s1
Canonical SMILES
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Synonyms

  • Oleandrigen + L-oleandrose + D-glucose
  • 16-(Acetyloxy)-3-[(2,6-dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • 16beta-(Acetyloxy)-3beta-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide

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
738.87 g/molcalc.
Exact mass
738.3827 Dacalc.
LogP (octanol/water)
1.51calc.
Topological polar surface area
199.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
52calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
18calc.
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=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)CC4CCC23)CO1

7 rings, 37 atoms.

53 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.

Urechitoxin suppliers

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Urechitoxin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Urechitoxin?

Urechitoxin has been reported in Nerium oleander.

What is the CAS number of Urechitoxin?

The CAS registry number of Urechitoxin is 56774-61-9.

What is the molecular formula and weight of Urechitoxin?

The molecular formula of Urechitoxin is C38H58O14 and its molar mass is 738.87 g/mol.

Is Urechitoxin hazardous?

No GHS hazard classification for Urechitoxin 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 Urechitoxin?

Urechitoxin 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 Urechitoxin?

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

What is the price of Urechitoxin?

Suppliers quote Urechitoxin 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 Urechitoxin

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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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