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Glycosides and other natural products

Orb2893170

CAS 72348-82-4Formula C42H68O13Molar mass 780.99 g/mol
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Orb2893170 chemical structure, C42H68O13, CAS 72348-82-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72348-82-4
Formula
C42H68O13
Molar mass
780.99 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Orb2893170?

Plain description, key identifiers and synonyms

3beta-Hydroxy-5alpha-oleana-12-ene-28-oic acid 6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester has been reported in Aster yunnanensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CAS number
72348-82-4
Molecular formula
C42H68O13
InChIKey
RCCBQPYIPSPBFI-GWIVOYSISA-N
InChI
InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(54-35)20-52-34-32(49)30(47)28(45)23(19-43)53-34)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(44)38(3,4)25(39)10-13-41(26,40)7/h8,22-35,43-50H,9-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,39-,40+,41+,42-/m0/s1
Canonical SMILES
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)(C)C)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
780.99 g/molcalc.
Exact mass
780.466 Dacalc.
LogP (octanol/water)
2.32calc.
Topological polar surface area
215.8 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
6calc.
Heavy atoms
55calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
18calc.
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(OC1CCCC(COC2CCCCO2)O1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

O=C(OC1CCCC(COC2CCCCO2)O1)C12CCCCC1C1=CCC3C4CCCCC4CCC3C1CC2

7 rings, 39 atoms.

6 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.

Orb2893170 suppliers

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Orb2893170 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 Orb2893170 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 Orb2893170 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2893170, based on the data on this page

What is Orb2893170?

3beta-Hydroxy-5alpha-oleana-12-ene-28-oic acid 6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester has been reported in Aster yunnanensis.

What is the CAS number of Orb2893170?

The CAS registry number of Orb2893170 is 72348-82-4.

What is the molecular formula and weight of Orb2893170?

The molecular formula of Orb2893170 is C42H68O13 and its molar mass is 780.99 g/mol.

Is Orb2893170 hazardous?

No GHS hazard classification for Orb2893170 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 Orb2893170?

Orb2893170 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 Orb2893170?

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What is the price of Orb2893170?

Suppliers quote Orb2893170 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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