Maniladiol

cas: 595-17-5 — see every product listed under this CAS number, including other names

Maniladiol (CAS 595-17-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N13011-Get quote
cas595-17-5
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Structural formula: {0} (CAS {1})

Maniladiol is a pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3beta and 16beta positions have been replaced by hydroxy groups. It has a role as an antitubercular agent and a plant metabolite. It is a diol and a pentacyclic triterpenoid. It derives from a hydride of an oleanane.

Source: ChEBI

Identity
Molecular formulaC30H50O2
Molecular weight442.7 g/mol
IUPAC name(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
InChIKeyVLRYIIPJIVGFIV-QQSFYHFXSA-N
SMILESC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)(C)C)O

Computed by PubChem (NCBI)

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