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Steroids and sterols

Vertaline B

Also known as 22,26-Epiminocholest-5-ene-3,16,20-triol, 16,28-Secosolanid-5-ene-3,16,20-triol, (3beta,16beta)-, 20-(5-Methylpiperidin-2-yl)pregn-5-ene-3,16,20-triol

CAS 118985-28-7Formula C27H45NO3Molar mass 431.66 g/mol
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Vertaline B chemical structure, C27H45NO3, CAS 118985-28-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
118985-28-7
Formula
C27H45NO3
Molar mass
431.66 g/mol
HS code
293339
Category
Steroids and sterols

What is Vertaline B?

Plain description, key identifiers and synonyms

Vertaline B is a chemical substance with the molecular formula C27H45NO3 and a molar mass of 431.66 g/mol. Its CAS registry number is 118985-28-7. The IUPAC name is (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1R)-1-hydroxy-1-[(5S)-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1R)-1-hydroxy-1-[(5S)-5-methylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
CAS number
118985-28-7 CAS number cross-checked
Molecular formula
C27H45NO3
InChIKey
BMGBVZMEIAHUFA-CUAWSUMVSA-N
InChI
InChI=1S/C27H45NO3/c1-16-5-8-23(28-15-16)27(4,31)24-22(30)14-21-19-7-6-17-13-18(29)9-11-25(17,2)20(19)10-12-26(21,24)3/h6,16,18-24,28-31H,5,7-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23?,24-,25-,26-,27-/m0/s1
Canonical SMILES
CC1CCC(C(C)(O)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)NC1
Isomeric SMILES
C[C@H]1CCC(NC1)[C@@](C)([C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O)O

Synonyms

  • 22,26-Epiminocholest-5-ene-3,16,20-triol
  • 16,28-Secosolanid-5-ene-3,16,20-triol, (3beta,16beta)-
  • 20-(5-Methylpiperidin-2-yl)pregn-5-ene-3,16,20-triol
  • (20R)-20-[(5S)-5-Methylpiperidin-2-yl]pregn-5-ene-3beta,16beta,20-triol

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
431.66 g/molcalc.
Exact mass
431.3399 Dacalc.
LogP (octanol/water)
4.04calc.
Topological polar surface area
72.72 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
11calc.
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, C1=C2CCCCC2C2CCC3C(CC4CCCCN4)CCC3C2C1

C1=C2CCCCC2C2CCC3C(CC4CCCCN4)CCC3C2C1

5 rings, 24 atoms.

15 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.

Vertaline B suppliers

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Vertaline B 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 Vertaline B is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Vertaline B, based on the data on this page

What is Vertaline B?

Vertaline B is a chemical substance with the molecular formula C27H45NO3 and a molar mass of 431.66 g/mol. Its CAS registry number is 118985-28-7.

What is the CAS number of Vertaline B?

The CAS registry number of Vertaline B is 118985-28-7.

What is the molecular formula and weight of Vertaline B?

The molecular formula of Vertaline B is C27H45NO3 and its molar mass is 431.66 g/mol.

Is Vertaline B hazardous?

No GHS hazard classification for Vertaline B 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 Vertaline B?

Vertaline B is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vertaline B?

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What is the price of Vertaline B?

Suppliers quote Vertaline B 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 Vertaline B

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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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