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Glycosides and other natural products

Orb3179690

CAS 871115-75-2Formula C34H44O17Molar mass 724.71 g/mol
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Orb3179690 chemical structure, C34H44O17, CAS 871115-75-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
871115-75-2
Formula
C34H44O17
Molar mass
724.71 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Orb3179690?

Plain description, key identifiers and synonyms

Orb3179690 is a chemical substance with the molecular formula C34H44O17 and a molar mass of 724.71 g/mol. Its CAS registry number is 871115-75-2. The IUPAC name is [(2R,3R,4R,5R,6R)-4-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
871115-75-2
Molecular formula
C34H44O17
InChIKey
QWZGGUAQUDLRNS-WFUSMDHWSA-N
InChI
InChI=1S/C34H44O17/c1-17-27(50-33-30(43)34(44,15-36)16-46-33)24(40)25(41)32(47-17)51-29-26(42)31(45-12-11-18-5-3-2-4-6-18)48-22(14-35)28(29)49-23(39)10-8-19-7-9-20(37)21(38)13-19/h2-10,13,17,22,24-33,35-38,40-44H,11-12,14-16H2,1H3/b10-8+/t17-,22+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33-,34+/m0/s1
Canonical SMILES
CC1OC(OC2C(O)C(OCCc3ccccc3)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OC1OCC(O)(CO)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC=CC=C4)O)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)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
724.71 g/molcalc.
Exact mass
724.2579 Dacalc.
LogP (octanol/water)
-1.96calc.
Topological polar surface area
263.8 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
13calc.
Heavy atoms
51calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
13calc.
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(C=Cc1ccccc1)OC1COC(OCCc2ccccc2)CC1OC1CCC(OC2CCCO2)CO1

O=C(C=Cc1ccccc1)OC1COC(OCCc2ccccc2)CC1OC1CCC(OC2CCCO2)CO1

5 rings, 39 atoms.

1 other chemical 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.

Orb3179690 suppliers

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Orb3179690 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 Orb3179690 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 Orb3179690 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3179690, based on the data on this page

What is Orb3179690?

Orb3179690 is a chemical substance with the molecular formula C34H44O17 and a molar mass of 724.71 g/mol. Its CAS registry number is 871115-75-2.

What is the CAS number of Orb3179690?

The CAS registry number of Orb3179690 is 871115-75-2.

What is the molecular formula and weight of Orb3179690?

The molecular formula of Orb3179690 is C34H44O17 and its molar mass is 724.71 g/mol.

Is Orb3179690 hazardous?

No GHS hazard classification for Orb3179690 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 Orb3179690?

Orb3179690 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 Orb3179690?

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What is the price of Orb3179690?

Suppliers quote Orb3179690 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 Orb3179690

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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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