(Q105135056)

English

(3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13b-dodecahydro-1H-cyclopenta[a]chrysen-13-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13bH-cyclopenta[a]chrysen-13-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1C=C2C(CCC3C2(C)CCC(O)C3(C)C)C4(C)CCC5(C)C(CCC5C14C)C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@]3(C)C(=O)C=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C

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found in taxon

Pseudocyphellaria aurata

1 reference

stated in

New Fernene Triterpenes From the Lichen Pseudocyphellaria aurata

Identifiers

InChI

InChI=1S/C30H48O2/c1-18(2)19-9-12-23-28(19,6)15-16-29(7)20-10-11-22-26(3,4)24(31)13-14-27(22,5)21(20)17-25(32)30(23,29)8/h17-20,22-24,31H,9-16H2,1-8H3/t19-,20+,22+,23-,24+,27-,28-,29-,30-/m1/s1

0 references

InChIKey

JTWWGTAUNWXXCI-RBRVKDLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTWWGTAUNWXXCI-RBRVKDLASA-N

1 reference

(Q105135056)

(3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-9-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13b-dodecahydro-1H-cyclopenta[a]chrysen-13-one

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Identifiers

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