Research chemical
CAS Number: 72497-31-5
![(1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone molecular structure, CAS 72497-31-5](/structure-images/72497-31-5.png?v=struct-v3)
Product details
PubChem CID
162639171
Exact Mass
526.183897
InChIKey
YANMOPNMEHOFDO-VSGACOMMSA-N
SMILES String
C[C@]12C(=O)CC(O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@]5(C)[C@@H]6[C@]1(OC[C@H]5C(=O)O4)C(=O)O[C@]623
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone is identified by CAS 72497-31-5, with molecular formula C28H30O10, molecular weight 526.5, InChIKey YANMOPNMEHOFDO-VSGACOMMSA-N.
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For laboratory research and professional procurement workflows.
Heavy atom count
38
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
0
Ring count
8
Aromatic rings
0
Topological polar surface area
145.66 Ų
Computed LogP
0.53
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
(1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16. 9. 2. 01,5. 02,24. 08,17. 09,14. 018,27.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.