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Steroids and sterols

Convallamaroside

CAS 52591-05-6Formula C57H94O27Molar mass 1,211.35 g/mol
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Convallamaroside chemical structure, C57H94O27, CAS 52591-05-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52591-05-6
Formula
C57H94O27
Molar mass
1,211.35 g/mol
HS code
293890
Category
Steroids and sterols

What is Convallamaroside?

Plain description, key identifiers and synonyms

Convallamaroside is a steroid saponin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,14R,16R,18R)-16-[(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-6-hydroxy-7,9,13-trimethyl-6-[3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-14-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CAS number
52591-05-6 CAS number cross-checked
Molecular formula
C57H94O27
InChIKey
FNDDEEUISKKDMU-VQDATVTDSA-N
InChI
InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49+,50+,51-,52-,53-,54-,55-,56-,57+/m0/s1
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4([C@@H](C[C@@H](C5)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CCC(=C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

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
1,211.35 g/molcalc.
Exact mass
1,210.5982 Dacalc.
LogP (octanol/water)
-4.16calc.
Topological polar surface area
425.2 Ųcalc.
Hydrogen bond donors
16calc.
Hydrogen bond acceptors
27calc.
Rotatable bonds
16calc.
Heavy atoms
84calc.
Rings
10calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
37calc.
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, C=C(CCC1CC2C(CC3C2CCC2C3CCC3CC(OC4CCC(OC5CCCCO5)CO4)CC(OC4OCCCC4OC4CCCCO4)C32)O1)COC1CCCCO1

C=C(CCC1CC2C(CC3C2CCC2C3CCC3CC(OC4CCC(OC5CCCCO5)CO4)CC(OC4OCCCC4OC4CCCCO4)C32)O1)COC1CCCCO1

10 rings, 60 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.

Convallamaroside suppliers

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

Frequently asked questions

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

What is Convallamaroside?

Convallamaroside is a steroid saponin.

What is the CAS number of Convallamaroside?

The CAS registry number of Convallamaroside is 52591-05-6.

What is the molecular formula and weight of Convallamaroside?

The molecular formula of Convallamaroside is C57H94O27 and its molar mass is 1,211.35 g/mol.

Is Convallamaroside hazardous?

No GHS hazard classification for Convallamaroside 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 Convallamaroside?

Convallamaroside 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 Convallamaroside?

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

What is the price of Convallamaroside?

Suppliers quote Convallamaroside 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 Convallamaroside

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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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