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Glycosides and other natural products

SpecPlus_000298

Also known as DivK1c_006394, Sdccgmls-0066414.p001

CAS 134-33-8Formula C29H34O15Molar mass 622.58 g/mol
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SpecPlus_000298 chemical structure, C29H34O15, CAS 134-33-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
134-33-8
Formula
C29H34O15
Molar mass
622.58 g/mol
HS code
293890
Category
Glycosides and other natural products

What is SpecPlus_000298?

Plain description, key identifiers and synonyms

SpecPlus_000298 is a chemical substance with the molecular formula C29H34O15 and a molar mass of 622.58 g/mol. Its CAS registry number is 134-33-8. The IUPAC name is 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS number
134-33-8
Molecular formula
C29H34O15
InChIKey
DUXQKCCELUKXOE-NCNDPSPSSA-N
InChI
InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29-/m0/s1
Canonical SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O

Synonyms

  • DivK1c_006394
  • Sdccgmls-0066414.p001

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
622.58 g/molcalc.
Exact mass
622.1898 Dacalc.
LogP (octanol/water)
-0.79calc.
Topological polar surface area
227.2 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
8calc.
Heavy atoms
44calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
10calc.
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=c1cc(-c2ccccc2)oc2cc(OC3CCCC(COC4CCCCO4)O3)ccc12

O=c1cc(-c2ccccc2)oc2cc(OC3CCCC(COC4CCCCO4)O3)ccc12

5 rings, 32 atoms.

40 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.

SpecPlus_000298 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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SpecPlus_000298 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

Roles

  • anti-inflammatory agent
  • antineoplastic agent
  • antioxidant
  • apoptosis inducer
  • enzyme inhibitor
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

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 SpecPlus_000298 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 SpecPlus_000298 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SpecPlus_000298, based on the data on this page

What is SpecPlus_000298?

SpecPlus_000298 is a chemical substance with the molecular formula C29H34O15 and a molar mass of 622.58 g/mol. Its CAS registry number is 134-33-8.

What is the CAS number of SpecPlus_000298?

The CAS registry number of SpecPlus_000298 is 134-33-8.

What is the molecular formula and weight of SpecPlus_000298?

The molecular formula of SpecPlus_000298 is C29H34O15 and its molar mass is 622.58 g/mol.

What is SpecPlus_000298 used for?

Known uses and roles of SpecPlus_000298 include anti-inflammatory agent, antineoplastic agent, antioxidant, apoptosis inducer, enzyme inhibitor and 4 more.

Is SpecPlus_000298 hazardous?

No GHS hazard classification for SpecPlus_000298 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 SpecPlus_000298?

SpecPlus_000298 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 SpecPlus_000298?

Post a free request on CompoundList and suppliers of SpecPlus_000298 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SpecPlus_000298?

Suppliers quote SpecPlus_000298 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 SpecPlus_000298

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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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