(Q105327036)

English

(5R,8R,9S,10S,13S,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,4,10,13,14-Pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

(3aR,11aS)-3a,6,6,9a,11a-pentamethyl-1-(6-methyl-5-methylidenehept-1-en-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

438.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O

0 references

canonical SMILES

O=C1CCC2(C)C3CCC4(C)C(C(=C)CCC(=C)C(C)C)CCC4(C)C3CCC2C1(C)C

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isomeric SMILES

C=C(CCC(=C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C

0 references

found in taxon

Bridelia balansae

1 reference

stated in

New Long-Chain Esters and Adenine Analogs from the Leaves of FormosanBridelia balansae

Identifiers

InChI

InChI=1S/C31H50O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,23-26H,3-4,10-19H2,1-2,5-9H3/t23-,24+,25-,26+,29+,30+,31-/m1/s1

0 references

InChIKey

XFHJQPOEXGSDJI-HHGMXZGMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105327036)

(5R,8R,9S,10S,13S,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylidenehept-1-en-2-yl)-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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