(9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol
TL;DR: (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol (CAS 68831-78-7) is a chemical compound with molecular formula C40H56O3 and molecular weight 584.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Also Known As: Antheraxanthin, all-trans-antheraxanthin, 5,6-Epoxy-5,6-dihydro-beta,beta-carotene-3,3 -diol, .beta.-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, all-trans-, (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol
| Molecular Formula | C40H56O3 |
|---|---|
| Molecular Weight | 584.42 g/mol |
| LogP | 9.7586 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.423 |
| Heavy Atoms | 43 |
| Complexity | 1333.1165 |
Chemical Identifiers
| CAS Number | 68831-78-7 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C23C(CC(CC2(O3)C)O)(C)C)/C)/C |
Product Overview
(9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol (CAS 68831-78-7), with molecular formula C40H56O3 and molecular weight 584.42 g/mol. IUPAC: 6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol.
Chemical Property Profile of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol
Property Insights of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol
The XLogP value of 9.7586 indicates that (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.99 Ų, (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol has 2 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 (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol?
The CAS number of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol is 68831-78-7.
What is the molecular formula of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol?
The molecular formula of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol is C40H56O3.
What is the molecular weight of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol?
The molecular weight of (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol is 584.42 g/mol.
Where can I buy (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol?
You can request a quote for (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol?
Yes, KEHONG BIO provides custom synthesis services for (9Z)-5alpha,6alpha-Epoxy-5,6-dihydro-beta,beta-carotene-3beta,3'beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.