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Glycosides and other natural products

Esculentoside E

Also known as Phytolaccoside G, Phytolaccoside G (Esculentoside E), 2,23-Dihydroxy-3-(pentopyranosyloxy)olean-12-ene-28,29-dioic acid

CAS 65649-36-7Formula C35H54O11Molar mass 650.81 g/mol
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Esculentoside E chemical structure, C35H54O11, CAS 65649-36-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65649-36-7
Formula
C35H54O11
Molar mass
650.81 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Esculentoside E?

Plain description, key identifiers and synonyms

Esculentoside E is a chemical substance with the molecular formula C35H54O11 and a molar mass of 650.81 g/mol. Its CAS registry number is 65649-36-7. The IUPAC name is (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
CAS number
65649-36-7 CAS number cross-checked
Molecular formula
C35H54O11
InChIKey
UERRXLUEVHKNBY-JDNGKTEJSA-N
InChI
InChI=1S/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20+,21-,22?,23-,24+,25-,26+,27+,30-,31+,32+,33-,34-,35+/m1/s1
Canonical SMILES
CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Isomeric SMILES
C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O

Synonyms

  • Phytolaccoside G
  • Phytolaccoside G (Esculentoside E)
  • 2,23-Dihydroxy-3-(pentopyranosyloxy)olean-12-ene-28,29-dioic acid
  • (5xi)-2beta,23-Dihydroxy-3beta-(beta-D-xylopyranosyloxy)-18alpha-olean-12-ene-28,29-dioic acid
  • Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(beta-D-xylopyranosyloxy)-, (2beta,3beta,4alpha,20beta)-

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
650.81 g/molcalc.
Exact mass
650.3666 Dacalc.
LogP (octanol/water)
2.7calc.
Topological polar surface area
194.2 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
46calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (2 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, C1=C2C3CCCCC3CCC2C2CCC3CC(OC4CCCCO4)CCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CC(OC4CCCCO4)CCC3C2C1

6 rings, 29 atoms.

107 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.

Esculentoside E suppliers

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

Frequently asked questions

Quick answers about Esculentoside E, based on the data on this page

What is Esculentoside E?

Esculentoside E is a chemical substance with the molecular formula C35H54O11 and a molar mass of 650.81 g/mol. Its CAS registry number is 65649-36-7.

What is the CAS number of Esculentoside E?

The CAS registry number of Esculentoside E is 65649-36-7.

What is the molecular formula and weight of Esculentoside E?

The molecular formula of Esculentoside E is C35H54O11 and its molar mass is 650.81 g/mol.

Is Esculentoside E hazardous?

No GHS hazard classification for Esculentoside E 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 Esculentoside E?

Esculentoside E 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 Esculentoside E?

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

What is the price of Esculentoside E?

Suppliers quote Esculentoside E 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 Esculentoside E

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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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