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Steroids and sterols

Scillaren A

Also known as Transvaalin, Glucoproscillaridin A, Scillarenin 3-O-glucosylrhamnoside

CAS 124-99-2Formula C36H52O13Molar mass 692.80 g/molEC 204-721-3
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Scillaren A chemical structure, C36H52O13, CAS 124-99-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124-99-2
Formula
C36H52O13
Molar mass
692.80 g/mol
EC number
204-721-3
HS code
293890
Category
Steroids and sterols

What is Scillaren A?

Plain description, key identifiers and synonyms

Scillaren A is a glycoside, a 14beta-hydroxy steroid and a disaccharide derivative. It is functionally related to a scillarenin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS number
124-99-2
EC number
204-721-3
Molecular formula
C36H52O13
UNII
H92KP5H7C6
InChIKey
NXJOCELNFPGKIV-ARHXXGKOSA-N
InChI
InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1
Canonical SMILES
CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

Synonyms

  • Transvaalin
  • Glucoproscillaridin A
  • Scillarenin 3-O-glucosylrhamnoside
  • 3-O-(4-O-beta-D-glucopyranosyl-alpha-L-rhamnopyranosyl)-3beta,14beta-dihydroxybufa-4,20,22-trienolide
  • 3 beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4, 20,22-trienolide
  • Bufa-4,20,22-trienolide, 3-((6-deoxy-4-o-beta-d-glucopyranosyl-alpha-l-mannopyranosyl)oxy)-14-hydroxy-, (3beta)-
  • Scillaglykosid A
  • 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyloxy)-14-hydroxybufa-4,20,22-trienolide
  • Scillaren + rhamnose + glucose
  • 4-18-00-01659 (Beilstein Handbook Reference)
  • 14-beta-Hydroxy-3-beta-scillobiosidobufa-4,20,22-trienolide
  • 3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid
  • Mannopyranoside, scillarenin-3 6-deoxy-4-O-beta-D-glucopyranosyl-, alpha-L-
  • Scillaren A, >=90% (LC/MS-ELSD)
  • Glucoproscillaridin A, Scillarenin 3-O-glucosylrhamnoside, Transvaalin
  • (3.Beta.)-3-((6-deoxy-4-o-beta-d-glucopyranosyl-alpha-l-mannopyranosyl)oxy)-14-hydroxybufa-4,20,22-trienolide
  • 3beta-((6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4,20,22-trienolide
  • Bufa-4,20,22-trienolide, 3-((6-deoxy-4-o-beta-d-glucopyranosyl-alpha-l-mannopyranosyl)oxy)-14-hydroxy-, (3.beta.)-
  • Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-

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
692.80 g/molcalc.
Exact mass
692.3408 Dacalc.
LogP (octanol/water)
0.84calc.
Topological polar surface area
208.7 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
6calc.
Heavy atoms
49calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.81calc.
Formal charge
0calc.
Stereocentres
17calc.
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=c1ccc(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)C=C4CCC23)co1

O=c1ccc(C2CCC3C2CCC2C4CCC(OC5CCC(OC6CCCCO6)CO5)C=C4CCC23)co1

7 rings, 38 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Scillaren A suppliers

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Scillaren A price

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

Frequently asked questions

Quick answers about Scillaren A, based on the data on this page

What is Scillaren A?

Scillaren A is a glycoside, a 14beta-hydroxy steroid and a disaccharide derivative. It is functionally related to a scillarenin.

What is the CAS number of Scillaren A?

The CAS registry number of Scillaren A is 124-99-2.

What is the molecular formula and weight of Scillaren A?

The molecular formula of Scillaren A is C36H52O13 and its molar mass is 692.80 g/mol.

Is Scillaren A hazardous?

Scillaren A carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Scillaren A?

Scillaren A 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 Scillaren A?

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What is the price of Scillaren A?

Suppliers quote Scillaren A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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