Research chemical
CAS Number: 1822332-33-1
![(1R,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid molecular structure, CAS 1822332-33-1](/structure-images/1822332-33-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
146075485
Exact Mass
550.205027
InChIKey
VMAQZPRBCBVUAH-NDAAOVARSA-N
SMILES String
CC1=C(O)C(=O)C[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C(=O)O)OC[C@]35C4[C@@H](OC(=O)/C=C(\C)C(C)(C)O)C(=O)O[C@@H]5C[C@@H]12
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,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid is identified by CAS 1822332-33-1, with molecular formula C27H34O12, molecular weight 550.6, InChIKey VMAQZPRBCBVUAH-NDAAOVARSA-N.
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Heavy atom count
39
H-bond acceptors
12
H-bond donors
5
Rotatable bonds
4
Ring count
5
Aromatic rings
0
Topological polar surface area
197.12 Ų
Computed LogP
0.18
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
(1R,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12. 5. 0. 01,6. 02,17.
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