Soyasapogenol B - ≥98% , CAS No.595-15-3

CAS: 595-15-3 Cat. No.: S464952 Molecular Weight: 458.72 PubChem CID: 115012

GRADE & PURITY ≥98%

Synonyms

(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol | 24-hydroxysophoradiol | Olean-12-ene-3,22,24-triol, (3beta,22beta)- | OLEAN-12-ENE-3,22,23-TRI

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Soyasapogenol B, a component of soybean, has anti-proliferation and anti-metastasis activities. Soyasapogenol B triggers the endoplasmic reticulum stress response, which mediates apoptosis and autophagy in colorectal cancer

Specifications

Synonyms

(3S, 4S, 4aR, 6aR, 6bS, 8aR, 9R, 12aS, 14aR, 14bR)-4-(hydroxymethyl)-4, 6a, 6b, 8a, 11, 11, 14b-heptamethyl-1, 2, 3, 4a, 5, 6, 7, 8, 9, 10, 12, 12a, 14, 14a-tetradecahydropicene-3, 9-diol | 24-hydroxysophoradiol | Olean-12-ene-3, 22, 24-triol, (3beta, 22beta)- | OLEAN-12-ENE-3, 22, 23-TRI

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Soyasapogenol B is a constituent of soya bean saponin that belongs to the family of oleanane triterpenes. It is known to have biofunctions in cell signaling, membrane integrity and stability, and fuel and energy storage. Soyasapogenol B may demonstrate hy

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756733
• Canonical Smiles: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C
• IUPAC Name: (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
• InChIKey: YOQAQNKGFOLRGT-UXXABWCISA-N
• INCHI: 1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
• Isomeric SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O
• PubChem CID: 115012
• Molecular Weight: 458.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Steroids and steroid derivatives Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Dammarenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DU-145 (51482 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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HEK293 (82097 Activities)

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HeLa (62764 Activities)

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Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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RAW264.7 (28094 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive、Light Sensitive、Moisture Sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 458.700 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 458.376 Da
• Monoisotopic Mass: 458.376 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 847.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1