CompoundList
Sign in
Heterocyclic building blocks

Angulatin E

CAS 403613-20-7Formula C35H48O13Molar mass 676.76 g/mol
Get quotes Safety data
Angulatin E chemical structure, C35H48O13, CAS 403613-20-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
403613-20-7
Formula
C35H48O13
Molar mass
676.76 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Angulatin E?

Plain description, key identifiers and synonyms

Angulatin E is a chemical substance with the molecular formula C35H48O13 and a molar mass of 676.76 g/mol. Its CAS registry number is 403613-20-7. The IUPAC name is [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylbutanoyloxymethyl)-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5-diacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylbutanoyloxymethyl)-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
CAS number
403613-20-7
Molecular formula
C35H48O13
InChIKey
CHTLVJPURGFELF-KKSMYCASSA-N
InChI
InChI=1S/C35H48O13/c1-10-19(4)30(40)43-17-34-27(45-21(6)37)23(44-20(5)36)16-33(9,42)35(34)26(38)24(32(7,8)48-35)25(46-29(39)18(2)3)28(34)47-31(41)22-14-12-11-13-15-22/h11-15,18-19,23-28,38,42H,10,16-17H2,1-9H3/t19?,23-,24+,25-,26?,27-,28+,33-,34-,35-/m0/s1
Canonical SMILES
CCC(C)C(=O)OCC12C(OC(C)=O)C(OC(C)=O)CC(C)(O)C13OC(C)(C)C(C(OC(=O)C(C)C)C2OC(=O)c1ccccc1)C3O
Isomeric SMILES
CCC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13C([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C

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
676.76 g/molcalc.
Exact mass
676.3095 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
181.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
10calc.
Heavy atoms
48calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
10calc.
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, O=C(OC1CC2COC3(CCCCC13)C2)c1ccccc1

O=C(OC1CC2COC3(CCCCC13)C2)c1ccccc1

4 rings, 21 atoms.

21 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.

Angulatin E suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Angulatin E can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Angulatin E price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

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 Angulatin E is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Angulatin E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Angulatin E?

Angulatin E is a chemical substance with the molecular formula C35H48O13 and a molar mass of 676.76 g/mol. Its CAS registry number is 403613-20-7.

What is the CAS number of Angulatin E?

The CAS registry number of Angulatin E is 403613-20-7.

What is the molecular formula and weight of Angulatin E?

The molecular formula of Angulatin E is C35H48O13 and its molar mass is 676.76 g/mol.

What is Angulatin E used for?

Known uses and roles of Angulatin E include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Angulatin E hazardous?

No GHS hazard classification for Angulatin 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 Angulatin E?

Angulatin E is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Angulatin E?

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

What is the price of Angulatin E?

Suppliers quote Angulatin 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 Angulatin E

Get quotes for Angulatin E

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Angulatin E
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Angulatin E with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/angulatin-e-403613-20-7" title="Angulatin E structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes