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Glycosides and other natural products

Dactylorhin E

CAS 256459-40-2Formula C27H40O16Molar mass 620.60 g/molEC 106-603-6
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Dactylorhin E chemical structure, C27H40O16, CAS 256459-40-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
256459-40-2
Formula
C27H40O16
Molar mass
620.60 g/mol
EC number
106-603-6
HS code
293890
Category
Glycosides and other natural products

What is Dactylorhin E?

Plain description, key identifiers and synonyms

Dactylorhin E has been reported in Gymnadenia conopsea, Bletilla striata, and Dactylorhiza hatagirea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-5-methyl-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]hexanoic acid
CAS number
256459-40-2
EC number
106-603-6
Molecular formula
C27H40O16
InChIKey
ZGNUJHGCJSHIQU-JNGALJFKSA-N
InChI
InChI=1S/C27H40O16/c1-12(2)7-27(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-3-5-14(6-4-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,32-37H,7-11H2,1-2H3,(H,30,31)/t15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27-/m0/s1
Canonical SMILES
CC(C)CC(CC(=O)O)(OC1OC(CO)C(O)C(O)C1O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
Isomeric SMILES
CC(C)C[C@](CC(=O)O)(C(=O)OCC1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)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
620.60 g/molcalc.
Exact mass
620.2316 Dacalc.
LogP (octanol/water)
-3.02calc.
Topological polar surface area
262.4 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
13calc.
Heavy atoms
43calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
11calc.
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(COC1CCCCO1)OCc1ccc(OC2CCCCO2)cc1

O=C(COC1CCCCO1)OCc1ccc(OC2CCCCO2)cc1

3 rings, 25 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS classification
Hazard pictograms

Hazard statements

  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (2)
  • P273Avoid release to the environment.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Dactylorhin E suppliers

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

Frequently asked questions

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

What is Dactylorhin E?

Dactylorhin E has been reported in Gymnadenia conopsea, Bletilla striata, and Dactylorhiza hatagirea.

What is the CAS number of Dactylorhin E?

The CAS registry number of Dactylorhin E is 256459-40-2.

What is the molecular formula and weight of Dactylorhin E?

The molecular formula of Dactylorhin E is C27H40O16 and its molar mass is 620.60 g/mol.

Is Dactylorhin E hazardous?

Dactylorhin E has a GHS hazard classification. Main hazards: harmful to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dactylorhin E?

Dactylorhin 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 Dactylorhin E?

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What is the price of Dactylorhin E?

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Guides for buyers

Practical guides that help when you source, ship or handle Dactylorhin 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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