Ophiobolin I
TL;DR: Ophiobolin I (CAS 110013-85-9) is a chemical compound with molecular formula C25H36O3 and molecular weight 384.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'R,3S,3'S,5R,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-6'-one
Also Known As: Ophiobolin I, Ophiobola-3,7,19-trien-5-one, 14,18-epoxy-25-hydroxy-, (6alpha,18R)-, (1'R,3S,3'S,5R,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-6'-one, Spiro(dicyclopenta(a,d)cyclooctene-3(7H),2'(3'H)-furan)-7-one, 1,2,3a,4,4',5',6a,9a,10,10a-decahydro-6-(hydroxymethyl)-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl)-, (3S-(3alpha(3'R*,5'S*),3aalpha,6aalpha,9abeta,10abeta))-
| Molecular Formula | C25H36O3 |
|---|---|
| Molecular Weight | 384.27 g/mol |
| LogP | 5.0066 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.26645 |
| Heavy Atoms | 28 |
| Complexity | 755.75464 |
Chemical Identifiers
| CAS Number | 110013-85-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H](OC12CC[C@]3([C@H]2C/C=C(\[C@H]4[C@H](C3)C(=CC4=O)C)/CO)C)C=C(C)C |
Product Overview
Ophiobolin I (CAS 110013-85-9), with molecular formula C25H36O3 and molecular weight 384.27 g/mol. IUPAC: (1'R,3S,3'S,5R,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-6'-one.
Chemical Property Profile of Ophiobolin I
Property Insights of Ophiobolin I
The XLogP value of 5.0066 indicates that Ophiobolin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Ophiobolin I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ophiobolin I has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ophiobolin I?
The CAS number of Ophiobolin I is 110013-85-9.
What is the molecular formula of Ophiobolin I?
The molecular formula of Ophiobolin I is C25H36O3.
What is the molecular weight of Ophiobolin I?
The molecular weight of Ophiobolin I is 384.27 g/mol.
Where can I buy Ophiobolin I?
You can request a quote for Ophiobolin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ophiobolin I?
Yes, KEHONG BIO provides custom synthesis services for Ophiobolin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.