Research chemical
CAS Number: 1651839-34-7
![(1R,5aS,7S,9aS)-1-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-7-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[c]oxepin-3-one molecular structure, CAS 1651839-34-7](/structure-images/1651839-34-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168013493
Exact Mass
460.35526
InChIKey
GDRHALBYFBDMDN-JSFVAYFGSA-N
SMILES String
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1OC(=O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C
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.
(1R,5aS,7S,9aS)-1-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-7-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[c]oxepin-3-one is identified by CAS 1651839-34-7, with molecular formula C29H48O4, molecular weight 460.7, InChIKey GDRHALBYFBDMDN-JSFVAYFGSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Ordering
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Heavy atom count
33
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
3
Ring count
4
Aromatic rings
0
Topological polar surface area
66.76 Ų
Computed LogP
6.05
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
70 g/mol, PubChem CID 168013493.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
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