(Q105014756)

English

(4aS,6aS,6bR,8aS,12aS,14aS,14bS)-2,2,4a,6b,9,9,12a,14a-octamethyl-3,4,6a,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,2,4a,6b,9,9,12a,14a-octamethyl-3,4,6a,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one

1 reference

based on heuristic

inferred from SMILES

mass

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,6aR,6bR,8aS,12aS,14aS,14bS)-2,2,4a,6b,9,9,12a,14a-octamethyl-3,4,6a,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

0 references

canonical SMILES

O=C1C=C2C3(C)CCC4C(C)(C)CCCC4(C)C3CCC2(C)C5CC(C)(C)CCC15C

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isomeric SMILES

CC1(C)CC[C@]2(C)C(=O)C=C3[C@@](C)(CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

0 references

found in taxon

Lepra ophthalmiza

1 reference

stated in

(−)-Allo-pertusaric acid and (−)-dihydropertusaric acid from the lichen Pertusaria albescens

Pertusaria ophthalmiza

1 reference

stated in

(−)-Allo-pertusaric acid and (−)-dihydropertusaric acid from the lichen Pertusaria albescens

Identifiers

InChI

InChI=1S/C30H48O/c1-25(2)16-17-30(8)23(19-25)29(7)15-11-21-27(5)13-9-12-26(3,4)20(27)10-14-28(21,6)22(29)18-24(30)31/h18,20-21,23H,9-17,19H2,1-8H3/t20-,21-,23-,27-,28+,29+,30-/m0/s1

0 references

InChIKey

GPCATANXBCPEGH-GWKPGGNQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPCATANXBCPEGH-GWKPGGNQSA-N

(Q105014756)

(4aS,6aS,6bR,8aS,12aS,14aS,14bS)-2,2,4a,6b,9,9,12a,14a-octamethyl-3,4,6a,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one

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Identifiers

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