Saparal

CAT: 0931-T34514-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T34514-02Size:25 mg

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CAS Number

54692-41-0

Target

Others

Related Pathways

Others

Bioactivity

Saparal is an adaptogen of plant origin.

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Formula

C42H66O14

Molecular Weight

794.976

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Saparal

an adaptogen; extract from Aralia

CAS Number	54692-41-0
PubChem CID	3085071
IUPAC Name	(2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula	C42H66O14
Molecular Weight	795.0
XLogP	4.3
Topological Polar Surface Area	233
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	56
Formal Charge	0
Complexity	1560

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)OC6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)C)C)(C)C)OC7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O

InChI

InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,34?,35?,39-,40+,41+,42-/m0/s1

InChIKey

YOSRLTNUOCHBEA-ATLBLLJHSA-N

Chemical Structure

2D Structure

CAS: 54692-41-0

CID: 3085071

Formula: C42H66O14

MW: 795.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	795.0
XLogP3	4.3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	794.44525677
Monoisotopic Mass	794.44525677
Topological Polar Surface Area	233 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1560
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5784018	Saparal

Saparal

Chemical Information

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