(Q105346616)

English

(1S,4S,5R,13R,17S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,2,10-triol

group of stereoisomers with the chemical formula C₃₀H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC45OCC6(CCC(C)(C)CC46)C(O)(O)CC53C)C1(C)C

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isomeric SMILES

CC1(C)CC[C@]23CO[C@@]4(CCC5[C@@]6(C)CCC(O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC2(O)O)C3C1

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found in taxon

Clavija procera

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stated in

Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera

stated in

Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera

Embelia schimperi

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stated in

Oleanane-type triterpenes of Embelia schimperi leaves

stated in

Pentacyclic triterpenoids from Embelia schimperi

Aegiceras corniculatum

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stated in

Oleanane triterpenes from Aegiceras corniculatum

Identifiers

InChI

InChI=1S/C30H50O4/c1-23(2)14-15-28-18-34-29(21(28)16-23)13-9-20-25(5)11-10-22(31)24(3,4)19(25)8-12-26(20,6)27(29,7)17-30(28,32)33/h19-22,31-33H,8-18H2,1-7H3/t19?,20?,21?,22?,25-,26+,27-,28+,29-/m0/s1

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InChIKey

YCZCUYBLMISLED-TULPVNKCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCZCUYBLMISLED-TULPVNKCSA-N

1 reference

(Q105346616)

(1S,4S,5R,13R,17S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,2,10-triol

Statements

Identifiers

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