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Alcohols and polyols

Theasapogenol B

Also known as Jegosapogenol A, Giganteumgenin M, Careyagenol A

CAS 13844-01-4Formula C30H50O5Molar mass 490.73 g/mol
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Theasapogenol B chemical structure, C30H50O5, CAS 13844-01-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13844-01-4
Formula
C30H50O5
Molar mass
490.73 g/mol
HS code
290619
Category
Alcohols and polyols

What is Theasapogenol B?

Plain description, key identifiers and synonyms

Barringtogenol C is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3, 16, 21, 22 and 28 (the 3beta,16alpha,21beta,22alpha stereoisomer). It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a sapogenin and a pentol. It derives from a hydride of an oleanane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
CAS number
13844-01-4 CAS number cross-checkedOther or deprecated CAS: 17304-24-4
Molecular formula
C30H50O5
UNII
EXS7QH1WV9
InChIKey
AYDKOFQQBHRXEW-AAUPIIFFSA-N
InChI
InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
Canonical SMILES
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)C)O

Synonyms

  • Jegosapogenol A
  • Giganteumgenin M
  • Careyagenol A
  • Barringtogenol C
  • Proschiwalligenin PB1
  • Escinidin
  • Jegosapogenol
  • Saniculagenin D
  • Olean-12-ene-3,16,21,22,28-pentol, (3beta,16alpha,21beta,22alpha)-
  • (3R,4R,4aR,5R,6aS,6bR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
  • Olean-12-ene-3beta,16alpha,21beta,22alpha,28-pentol
  • Aescinidin
  • Acutangenol B
  • Barringtogenol
  • 22-O-Acetyl-21-O-(4'-O-angeloyl)-beta-d-fucopyranosyl theasapogenol B
  • Olean-12-ene-3,16,21,22,28-pentol
  • (3beta,16alpha,21beta,22alpha)Olean-12-ene-3,16,21,22,28-pentol
  • (3beta,16alpha,21beta,22alpha)-olean-12-ene-3,16,21,22,28-pentol
  • Theasapogenol B, Jegosapogenol A, Giganteumgenin M, Careyagenol A, Escinidin, Saniculagenin D

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
490.73 g/molcalc.
Exact mass
490.3658 Dacalc.
LogP (octanol/water)
4.05calc.
Topological polar surface area
101.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
35calc.
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=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

5 rings, 22 atoms.

402 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.

Theasapogenol B suppliers

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Theasapogenol 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Theasapogenol B is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Theasapogenol B?

Barringtogenol C is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3, 16, 21, 22 and 28 (the 3beta,16alpha,21beta,22alpha stereoisomer). It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a sapogenin and a pentol. It derives from a hydride of an oleanane.

What is the CAS number of Theasapogenol B?

The CAS registry number of Theasapogenol B is 13844-01-4. Other or deprecated CAS numbers: 17304-24-4.

What is the molecular formula and weight of Theasapogenol B?

The molecular formula of Theasapogenol B is C30H50O5 and its molar mass is 490.73 g/mol.

What is Theasapogenol B used for?

Known uses and roles of Theasapogenol B include eukaryotic metabolite, metabolite and plant metabolite.

Is Theasapogenol B hazardous?

No GHS hazard classification for Theasapogenol 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 Theasapogenol B?

Theasapogenol B is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Theasapogenol B?

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

What is the price of Theasapogenol B?

Suppliers quote Theasapogenol 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 Theasapogenol 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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