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Hispidone

CAT: 0013-GTR19229344-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229344-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hispidone is a small molecule compound utilized in life science research. It serves as a valuable tool in both in vitro and in vivo studies, particularly in research areas involving cellular signaling pathways and metabolic processes.
CAS Number
73891-72-2
Smiles
C[C@@]12C=3[C@@] ([C@]4 (C) [C@@] (CC3) (C (C) (C) C (=O) CC4) [H]) (CC[C@@]1 (C) [C@@] (CC2) ([C@@]5 (C[C@@H] (O) [C@H] (O) C (C) (C) OC5) [H]) [H]) [H]
Molecular Formula
C30H48O4
Molecular Weight
472.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 21603613

(1S,3aS,5aR,9aR,9bR,11aS)-1-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one has been reported in Onosma hispida, Toona ciliata, and other organisms with data available.

CAS Number73891-72-2
PubChem CID21603613
IUPAC Name(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP5.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity888
SMILES
C[C@@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)[C@]1(CC[C@H]2[C@@H]5C[C@H]([C@@H](C(OC5)(C)C)O)O)C
InChI
InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(33)27(3,4)34-17-18/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,25+,28-,29+,30-/m1/s1
InChIKey
YIBXWXOYFGZLRU-VRUJEOEASA-N
Chemical Structure
2D Structure
2D structure of CID 21603613
CAS: 73891-72-2
CID: 21603613
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area66.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity888
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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