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Chemical structure of Diterpenoid SP-II

GC72014

Diterpenoid SP-II

Also listed as ent-16β,17-Dihydroxykauran-19-oic acid

ent-16β,17-Dihydroxykauran-19-oic acid is an anti-inflammatory agent, which can be isolated from Siegesbeckia pubescens herb

ChemicalCAS3301-61-9MW336.47FormulaC20H32O4
CAS number
3301-61-9
Molecular weight
336.47
Formula
C20H32O4
InChIKey
MRBLTWPEPGRXQN-INIPNLRTSA-N
Catalogue number
GC72014
Brand
GLPBIO
Computed properties PubChem CID 442023 · XLogP 3.4 · TPSA 77.8 Ų · H-bond donors 3
XLogP
3.4
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

SMILES C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)(C)C(=O)O

Computed descriptors from PubChem (CID 442023), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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