Isoline

Also known as [(1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate, ((1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo(9.5.1.014,17)heptadec-11-en-7-yl) acetate, Ruwenine

CAS 30000-36-3Formula C₂₀H₂₉NO₇Molar mass 395.45 g/mol

Get quotes Safety data

2D chemical structure

Key facts

What buyers check first

All properties

CAS number: 30000-36-3
Formula: C₂₀H₂₉NO₇
Molar mass: 395.45 g/mol
HS code: 293499
Category: Heterocyclic compounds

What is Isoline?

Plain description, key identifiers and synonyms

Isoline has been reported in Senecio ruwenzoriensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: [(1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
CAS number: 30000-36-3 CAS number cross-checked
Molecular formula: C₂₀H₂₉NO₇
UNII: KGE82EDN24
InChIKey: IYLGZMTXKJYONK-ACLXAEORSA-N
InChI: InChI=1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20-/m1/s1
Canonical SMILES: CCC1(O)CC(C)C(C)(OC(C)=O)C(=O)OCC2=CCN3CCC(OC1=O)C23
Isomeric SMILES: CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C)O

Synonyms

[(1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
((1R,4R,6R,7S,17R)-4-ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo(9.5.1.014,17)heptadec-11-en-7-yl) acetate
Ruwenine
Isoline (alkaloid)
Isolin
(12s,15r)-15-hydroxy-11,16-dioxo-15,20-dihydrosenecionan-12-yl acetate
15-Hydroxy-11,16-dioxo-15,20-dihydrosenecionan-12-yl acetate
(3R,5R,6S,14ar,14br)-6-(acetyloxy)-3-ethyl-3,4,5,6,9,11,13,14,14a,14b-decahydro-3-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione

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	395.45 g/molcalc.
Exact mass	395.1944 Dacalc.
LogP (octanol/water)	0.96calc.
Topological polar surface area	102.4 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	2calc.
Heavy atoms	28calc.
Rings	3calc.
Aromatic rings	0calc.
Fraction sp3 carbons	0.75calc.
Formal charge	0calc.
Stereocentres	5calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1CCCCC(=O)OC2CCN3CC=C(CO1)C23

3 rings, 19 atoms.

22 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.

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

Request quotes Sell this chemical

Isoline 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

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 Isoline is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

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

Frequently asked questions

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

What is Isoline?

Isoline has been reported in Senecio ruwenzoriensis.

What is the CAS number of Isoline?

The CAS registry number of Isoline is 30000-36-3.

What is the molecular formula and weight of Isoline?

The molecular formula of Isoline is C20H29NO7 and its molar mass is 395.45 g/mol.

Is Isoline hazardous?

No GHS hazard classification for Isoline 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 Isoline?

Isoline is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoline?

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

What is the price of Isoline?

Suppliers quote Isoline 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 Isoline

Get quotes for Isoline

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.

Post a request Sell Isoline

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 Isoline with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/isoline-30000-36-3" title="Isoline 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 compounds or HS code 293499

Price on request

Free quotes, contact stays private

Get quotes

Key facts

What is Isoline?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Isoline suppliers

Isoline price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Isoline?

What is the CAS number of Isoline?

What is the molecular formula and weight of Isoline?

Is Isoline hazardous?

What is the HS code of Isoline?

Where can I buy Isoline?

What is the price of Isoline?

Guides for buyers

Get quotes for Isoline