Products for Research Use Only
RegisterLogin

PC-M5'

CAT: 0931-T126032-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T126032-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
133613-75-9
Target
Others
Related Pathways
Others
Bioactivity
PC-M5' is a natural product that can be used as a reference standard. The CAS number of PC-M5' is 133613-75-9.
Smiles
[H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O
Molecular Formula
C29H37NO5
Molecular Weight
479.617
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, [2S-(2alpha,3alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta)]-

PC-M5' is an organic heterotricyclic compound and an organooxygen compound.

CAS Number133613-75-9
PubChem CID38348556
IUPAC Name[(1S,2R,5S,7S,8R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-yl] acetate
Molecular FormulaC29H37NO5
Molecular Weight479.6
XLogP3.2
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity932
SMILES
CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)O)C)O[C@@H]1C(C)(C)O
InChI
InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3/t17-,22-,23+,25-,27+,28+,29+/m0/s1
InChIKey
IMABPJDBODVJSN-HKZMUHMQSA-N
Chemical Structure
2D Structure
2D structure of 4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, [2S-(2alpha,3alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta)]-
CAS: 133613-75-9
CID: 38348556
Formula: C29H37NO5
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass479.26717328
Monoisotopic Mass479.26717328
Topological Polar Surface Area91.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T84318-01Urolithin M5
TSW-01051-01M5 glycan
TP3102-01HL2-m5
T21059-01Ticagrelor metabolite M5
T75000-01Mal-Pc
T89298-01PC-Qz1
T85001-01PON-PC
T35956-01PAz-PC
T36172-01KOdiA-PC
T35580-01POV-PC

Alternative Products

CatalogName
MBS5791490PC-M5'
HY-N7922-01Urolithin M5
TRC-A575505-25MGAlosetron M5
HY-P10875-01HL2-m5
CS-O-13219Mirabegron M5
CS-O-15513Lomitapide M5
GTR19266841-01M5 glycan
322826-01CHRM5 (mAChR M5, Muscarinic acetylcholine receptor M5)
327645PC

Popular Products