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Hebeirubescensin H

CAT: 0931-TN4186Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4186Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887333-30-4
Target
Others
Related Pathways
Others
Bioactivity
Hebeirubescensin H is a natural product from Isodon parvifolius.
Smiles
CC1(C)CC[C@H](O)C23[C@H](O)O[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O
Molecular Formula
C20H28O7
Molecular Weight
380.437
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 72999392

Hebeirubescensin H has been reported in Isodon xerophilus with data available.

CAS Number887333-30-4
PubChem CID72999392
IUPAC Name9,10,15,16,18-pentahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Molecular FormulaC20H28O7
Molecular Weight380.4
XLogP-0.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity749
SMILES
CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3O)O)O)O)C
InChI
InChI=1S/C20H28O7/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)15(24)20(26,27-16(18)25)19(10,13(8)22)14(9)23/h9-12,14-16,21,23-26H,1,4-7H2,2-3H3
InChIKey
BTWFVPFIPDEZTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 72999392
CAS: 887333-30-4
CID: 72999392
Formula: C20H28O7
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass380.18350323
Monoisotopic Mass380.18350323
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes