(Q104995305)

English

(1S,3R,6S,9S,10R,11S,13E,17R,19S,20R)-17-hydroxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-15-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17-Hydroxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-15-one

1 reference

based on heuristic

inferred from SMILES

mass

384.266445012 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,6S,9S,10R,11S,17R,19S,20R)-17-hydroxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-15-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₃

0 references

canonical SMILES

O=C1OC2(O)CC(C)C3CC4(C)CCC5(C)CCC(C(=C)C)C5C4CC=C1C32

0 references

isomeric SMILES

C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(O)OC(=O)/C(=C/C[C@H]3[C@@H]12)[C@@H]45

0 references

found in taxon

Aspergillus aurantiobrunneus

1 reference

stated in

Immunomodulatory constituents from an ascomycete, Emericella aurantio-brunnea.

Aspergillus purpureus

1 reference

stated in

Three New Types of Indoloditerpenes, Emindole PA—PC, from Emericella purpurea. Revision of the Structure of Emindole PA

Identifiers

InChI

InChI=1S/C25H36O3/c1-14(2)16-8-9-23(4)10-11-24(5)13-18-15(3)12-25(27)20(18)17(22(26)28-25)6-7-19(24)21(16)23/h6,15-16,18-21,27H,1,7-13H2,2-5H3/b17-6+/t15-,16+,18-,19-,20-,21+,23-,24+,25+/m0/s1

0 references

InChIKey

FHJWMBGJDFBYNQ-OEPHGOMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FHJWMBGJDFBYNQ-OEPHGOMHSA-N

(Q104995305)

(1S,3R,6S,9S,10R,11S,13E,17R,19S,20R)-17-hydroxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-15-one

Statements

Identifiers

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