Products for Research Use Only
RegisterLogin

8,8a-dihydro-8-hydroxymorellic acid

CAT: 0931-TN8565-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN8565-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1458018-35-3
Bioactivity
8,8a-dihydro-8-hydroxymorellic acid is a natural product that can be used in related research in the field of life sciences. Its product number is TN8565.
Smiles
C(/C=C(\C(O)=O)/C)[C@@]12[C@]34C(C(=O)C=5C(O3)=C(CC=C(C)C)C6=C(C5O)C=CC(C)(C)O6)([C@@H](O)[C@@](C1=O)(C[C@]4(C(C)(C)O2)[H])[H])[H]
Molecular Formula
C33H38O9
Molecular Weight
578
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Z)-4-[(1S,2S,16S,17S,19R)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
CAS Number1458018-35-3
PubChem CID45272279
IUPAC Name(Z)-4-[(1S,2S,16S,17S,19R)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
Molecular FormulaC33H38O9
Molecular Weight578.6
XLogP4.5
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity1300
SMILES
CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H]6C[C@@H]([C@@H](C4C3=O)O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C33H38O9/c1-15(2)8-9-18-26-17(11-12-30(4,5)40-26)23(34)21-25(36)22-24(35)19-14-20-31(6,7)42-32(28(19)37,13-10-16(3)29(38)39)33(20,22)41-27(18)21/h8,10-12,19-20,22,24,34-35H,9,13-14H2,1-7H3,(H,38,39)/b16-10-/t19-,20-,22?,24-,32-,33-/m0/s1
InChIKey
GITYGECAVAWXHS-FZGWIHBJSA-N
Chemical Structure
2D Structure
2D structure of (Z)-4-[(1S,2S,16S,17S,19R)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
CAS: 1458018-35-3
CID: 45272279
Formula: C33H38O9
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass578.25158279
Monoisotopic Mass578.25158279
Topological Polar Surface Area140 Ų
Heavy Atom Count42
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T83237-018,8a-Dihydro-8-hydroxygambogic acid
T83537-01(R) -2-Isopropyl-8,8,8a-trimethyl-6,7,8,8a-tetrahydrophenanthrene-3,4-diol
TNU0444-017,8-Dihydro-8-oxo-7-propargyl guanosine
T75039-017,8-Dihydro-8-oxo-7-propargyl guanosine
T19160-017,8-Dihydro-L-biopterin
TNU0443-011-Amino-3'-deoxy-7,8-dihydro-8-oxoguanosine
TN7618-018-Abietenic acid
T8102-018-Aminooctanoic acid
T3834-018-Epideoxyloganic acid
T124255-018-Hydroxyoctanoic acid

Alternative Products

CatalogName
GTR19243033-018,8a-dihydro-8-hydroxymorellic acid
MBS58248868,8a-Dihydro-8-hydroxygambogic acid
GTR19279588-017,8-Dihydro-7,8-dihydroxykynurenic acid
FPD80290-011,2,3,5,8,8a-Hexahydroindolizine-8a-carboxylic acid hydrochloride
GTR19270717-018a-hydroxy-4a,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
MBS393760-01Octanoic-8,8,8-D3 Acid
YXC94177-018-Oxo-7,8-dihydro-1,7-naphthyridine-3-carboxylic acid
OR1041625-018- (Benzyloxy) -8-oxooctanoic acid
OR95708-018-Ethoxy-8-oxooctanoic acid
KQD93714-018-Oxo-7,8-dihydro-2,7-naphthyridine-4-carboxylic acid hydrochloride

Popular Products