CompoundList
Sign in
Screening compounds

Npc133429

Also known as alpha-amyrin cinnamate, Urs-12-en-3beta-ol 3-phenylpropenoate

CAS 13161-35-8Formula C39H56O2Molar mass 556.88 g/mol
Get quotes Safety data
Npc133429 chemical structure, C39H56O2, CAS 13161-35-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13161-35-8
Formula
C39H56O2
Molar mass
556.88 g/mol
HS code
291639
Category
Screening compounds

What is Npc133429?

Plain description, key identifiers and synonyms

alpha-Amyrin cinnamate has been reported in Himatanthus articulatus and Hoya australis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] (E)-3-phenylprop-2-enoate
CAS number
13161-35-8
Molecular formula
C39H56O2
InChIKey
SKSWXHZBFRPYAH-WLTWKNCHSA-N
InChI
InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+/t26-,27+,30+,31-,32+,34+,36-,37+,38-,39-/m1/s1
Canonical SMILES
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=Cc6ccccc6)C(C)(C)C5CCC43C)C2C1C
Isomeric SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC=CC=C6)C)C)[C@@H]2[C@H]1C)C)C

Synonyms

  • alpha-amyrin cinnamate
  • Urs-12-en-3beta-ol 3-phenylpropenoate

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
556.88 g/molcalc.
Exact mass
556.428 Dacalc.
LogP (octanol/water)
10.29calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.72calc.
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(C=Cc1ccccc1)OC1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1

O=C(C=Cc1ccccc1)OC1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1

6 rings, 33 atoms.

37 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.

Npc133429 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 Npc133429 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Npc133429 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 Npc133429 is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc133429 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc133429, based on the data on this page

What is Npc133429?

alpha-Amyrin cinnamate has been reported in Himatanthus articulatus and Hoya australis.

What is the CAS number of Npc133429?

The CAS registry number of Npc133429 is 13161-35-8.

What is the molecular formula and weight of Npc133429?

The molecular formula of Npc133429 is C39H56O2 and its molar mass is 556.88 g/mol.

What is Npc133429 used for?

Known uses and roles of Npc133429 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc133429 hazardous?

No GHS hazard classification for Npc133429 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 Npc133429?

Npc133429 is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc133429?

Post a free request on CompoundList and suppliers of Npc133429 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc133429?

Suppliers quote Npc133429 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 Npc133429

Get quotes for Npc133429

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Npc133429
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 Npc133429 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/npc133429-13161-35-8" title="Npc133429 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 Screening compounds or HS code 291639

Price on request
Free quotes, contact stays private
Get quotes