(Q105142244)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,6,19-Trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-17-ol

1 reference

based on heuristic

inferred from SMILES

mass

370.287180456 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR,3bR,6aS,7S,9R,9aR,10aS,12aR)-1,2,3,3a,3b,4,6a,7,8,9,9a,10,10a,11,12,12a-Hexadecahydro-9,10a,12a-trimethyl-3-(1-methylvinyl)-7,6-(epoxymethano)cyclopenta[4,5]cycloocta[1,2-e]indene-7-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₂

0 references

canonical SMILES

OC12OCC3=CCC4C5C(C(=C)C)CCC5(C)CCC4(C)CC(C(C)C1)C32

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/C(=C/C[C@H]3[C@@H]12)[C@@H]45

0 references

found in taxon

Aspergillus aurantiobrunneus

2 references

stated in

Immunomodulatory constituents from an ascomycete, Emericella aurantio-brunnea.

stated in

Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea

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/C25H38O2/c1-15(2)18-8-9-23(4)10-11-24(5)13-19-16(3)12-25(26)21(19)17(14-27-25)6-7-20(24)22(18)23/h6,16,18-22,26H,1,7-14H2,2-5H3/b17-6-/t16-,18+,19-,20-,21-,22+,23-,24+,25+/m0/s1

0 references

InChIKey

KKLLBIFNYVWKON-QFFVXKQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKLLBIFNYVWKON-QFFVXKQWSA-N

(Q105142244)

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

Statements

Identifiers

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