Cauloside C

CAT: 0931-T14877-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T14877-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

20853-58-1

Target

COX, IL Receptor, TNF

Related Pathways

Neuroscience, Immunology/Inflammation, Apoptosis

Purity

0.9985

Bioactivity

Cauloside C is a natural triterpenoid glycoside with anti-inflammatory activity, inhibiting iNOS and pro-inflammatory cytokines (e.g., TNF-α, IL-1β, IL-6, COX-2) .

Smiles

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](O)CO6)CC5)[H])[H]

Molecular Formula

C41H66O13

Molecular Weight

766.95

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cauloside C

Akeboside Std is a triterpenoid.

CAS Number	20853-58-1
PubChem CID	13878151
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula	C41H66O13
Molecular Weight	767.0
XLogP	3.1
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	54
Formal Charge	0
Complexity	1460

SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1

InChIKey

RROGHRHLBLVQSG-UUWFFIQNSA-N

Chemical Structure

2D Structure

CAS: 20853-58-1

CID: 13878151

Formula: C41H66O13

MW: 767.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	767.0
XLogP3	3.1
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	766.45034216
Monoisotopic Mass	766.45034216
Topological Polar Surface Area	216 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TN1476-01	Cauloside A
T10689-01	Cauloside D
T124562-01	Cauloside G
T5775-01	Cauloside F
T14849-01	C-NH-Boc-C-Bis- (C-PEG1-Boc)
T41069-01	CHO-C-PEG2-C-CHO
T87513-01	Thalidomide-azetidine-C-PIP-C-boc
T125693-01	Villosin C
T125307-01	Maejaposide C
T125140-01	Destruxin C

Alternative Products

Catalog	Name
HY-N3557-01	Cauloside A
MAA67245-01	Cauloside D
592364	Cauloside C
M24602-01	Cauloside F
GTR19231686-01	Cauloside G

Cauloside C

Chemical Information

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