(Q105215124)

English

(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-11-(acetyloxy)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(11-Acetyloxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

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canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](OC(C)=O)C[C@H]5OC(C)=O)[C@@H]12

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found in taxon

Cyathus pygmaeus

1 reference

stated in

Metabolites of bird's nest fungi. Part 18. new oxygenated cadinane derivatives from cyathus striatus

Phyllanthus lanceolarius

1 reference

stated in

The occurrence of triterpenoids and steroids in three Glochidion species

Identifiers

InChI

InChI=1S/C34H54O4/c1-20(2)23-13-15-31(7)17-18-32(8)24(29(23)31)11-12-26-33(32,9)16-14-25-30(5,6)27(37-21(3)35)19-28(34(25,26)10)38-22(4)36/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26-,27-,28+,29+,31+,32+,33+,34-/m0/s1

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InChIKey

PUJKRJBNTXQYSO-NIFDHWSYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUJKRJBNTXQYSO-NIFDHWSYSA-N

1 reference

(Q105215124)

(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-11-(acetyloxy)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl acetate

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