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Screening compounds

Orb1696198

Also known as (1R,2S,3S,5S,8R,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one

CAS 93781-75-0Formula C20H26O6Molar mass 362.42 g/mol
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Orb1696198 chemical structure, C20H26O6, CAS 93781-75-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
93781-75-0
Formula
C20H26O6
Molar mass
362.42 g/mol
HS code
293299
Category
Screening compounds

What is Orb1696198?

Plain description, key identifiers and synonyms

(1R,2S,3S,5S,8R,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one has been reported in Isodon enanderianus and Isodon xerophilus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,3S,5S,8R,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
CAS number
93781-75-0
Molecular formula
C20H26O6
InChIKey
GSRZMSWBSLHHAD-GJWLLTOMSA-N
InChI
InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18+,19-,20+/m0/s1
Canonical SMILES
C=C1C(=O)C23C4OC5OC2(O)C(O)C2C(C)(C)CCCC52C3C(O)CC14
Isomeric SMILES
CC1(CCC[C@]23[C@@H]1[C@@H]([C@@]4([C@]56[C@H]2[C@H](C[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C

Synonyms

  • (1R,2S,3S,5S,8R,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one

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
362.42 g/molcalc.
Exact mass
362.1729 Dacalc.
LogP (octanol/water)
0.74calc.
Topological polar surface area
96.22 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
26calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.85calc.
Formal charge
0calc.
Stereocentres
10calc.
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

Murcko scaffold of this chemical, C=C1C(=O)C23C4CC5CCCCC56C(O4)OC2C1CCC63

C=C1C(=O)C23C4CC5CCCCC56C(O4)OC2C1CCC63

8 rings, 21 atoms.

5 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.

Orb1696198 suppliers

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Orb1696198 price

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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 Orb1696198 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 Orb1696198 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1696198, based on the data on this page

What is Orb1696198?

(1R,2S,3S,5S,8R,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one has been reported in Isodon enanderianus and Isodon xerophilus.

What is the CAS number of Orb1696198?

The CAS registry number of Orb1696198 is 93781-75-0.

What is the molecular formula and weight of Orb1696198?

The molecular formula of Orb1696198 is C20H26O6 and its molar mass is 362.42 g/mol.

What is Orb1696198 used for?

Known uses and roles of Orb1696198 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1696198 hazardous?

No GHS hazard classification for Orb1696198 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 Orb1696198?

Orb1696198 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 Orb1696198?

Post a free request on CompoundList and suppliers of Orb1696198 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1696198?

Suppliers quote Orb1696198 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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