Research chemical
CAS Number: 388582-37-4
![(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol molecular structure, CAS 388582-37-4](/structure-images/388582-37-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
21669381
Exact Mass
906.267627
InChIKey
YQQUILZPDYJDQJ-QWJFNKQSSA-N
SMILES String
Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@@H]2[C@H]2c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O5)O[C@@H]3c2ccc(O)cc2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol is identified by CAS 388582-37-4, with molecular formula C56H42O12, molecular weight 906.9, InChIKey YQQUILZPDYJDQJ-QWJFNKQSSA-N.
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Heavy atom count
68
H-bond acceptors
12
H-bond donors
10
Rotatable bonds
5
Ring count
12
Aromatic rings
8
Topological polar surface area
220.76 Ų
Computed LogP
10.43
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-9-[(1S,8S,9R,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8. 6. 1. 02,7. 014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8. 6. 1. 02,7.
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