(Q105142242)

English

(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

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

(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

1 reference

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

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]5/C(=C\C[C@@H]3[C@@H]12)CO[C@@]5(O)C[C@H]4C

0 references

found in taxon

Aspergillus aurantiobrunneus

2 references

stated in

Two New Sesterterpenes from the Ascomycetous FungusEmericellapurpurea

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

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+/m1/s1

0 references

InChIKey

KKLLBIFNYVWKON-OSLLNMQGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKLLBIFNYVWKON-OSLLNMQGSA-N

ChEBI ID

215184

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

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+/m1/s1

SureChEMBL ID

SCHEMBL19817004

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KKLLBIFNYVWKON-OSLLNMQGSA-N

1 reference

Natural Product Atlas ID

NPA019454

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KKLLBIFNYVWKON-OSLLNMQGSA-N

(Q105142242)

(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

Statements

Identifiers

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