Mogrol

CAT: 0926-NDA93015-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NDA93015-01Size:10 mg

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CAS Number

88930-15-8

MDL Number

MFCD29904541

Smiles

CC (CCC (C (C) (C) O) O) C1CCC2 (C1 (CC (C3 (C2CC=C4C3CCC (C4 (C) C) O) C) O) C) C

Molecular Formula

C30H52O4

Molecular Weight

476.73 g/mol

Controlled

Chemical Information

Mogrol

Mogrol is a tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stereoisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii. It has a role as an antineoplastic agent. It is a tetracyclic triterpenoid and a hydroxy seco-steroid. It is functionally related to a cucurbitadienol.

CAS Number	88930-15-8
PubChem CID	14525327
IUPAC Name	(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Molecular Formula	C30H52O4
Molecular Weight	476.7
XLogP	5.4
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	817

SMILES

C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)O)C)C

InChI

InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1

InChIKey

JLYBBRAAICDTIS-AYEHCKLZSA-N

Chemical Structure

2D Structure

CAS: 88930-15-8

CID: 14525327

Formula: C30H52O4

MW: 476.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	476.7
XLogP3	5.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	476.38656014
Monoisotopic Mass	476.38656014
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	817
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19165053-01	Mogrol
A24196-100	Mogrol 100mg
A24196-5	Mogrol 5mg
A24196-10	Mogrol 10mg
HY-N2312R-01	Mogrol (Standard)
A24196-50	Mogrol 50mg
TRC-O366670-10MG	11-Oxo-Mogrol
M38270	3-O-β-D-Glucopyranosyl- (1-3) -β-D-glucopyranosyl- mogrol 24-O-β-D-glucopyranosyl- (1-2) -[β-D- glucopyranosyl - (1-6) ]-β-D-glucopyranosyl

Mogrol

Chemical Information

Alternative Products

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