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Chemical structure of Rotundic acid

GC38609

Rotundic acid

Also known as (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Rotundic acid, a triterpenoid obtained from I

ChemicalCAS20137-37-5MW488.7FormulaC30H48O5
CAS number
20137-37-5
Molecular weight
488.7
Formula
C30H48O5
Solubility
DMSO ： 100 mg/mL (204·62 mM; Need ultrasonic)
InChIKey
YLHQFGOOMKJFLP-LTFXOGOQSA-N
Catalogue number
GC38609
Brand
GLPBIO
Computed properties PubChem CID 12315075 · XLogP 5.3 · TPSA 98 Ų · H-bond donors 4
XLogP
5.3
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Computed descriptors from PubChem (CID 12315075), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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