(Q104994845)

English

(1S,3R,6R,7S,13S,15R,16S)-13-methoxy-3,15-dimethyl-6-[(2S)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-en-15-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

ophiobolane sesterterpenoid

0 references

mass

400.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,6R,7S,13R,15R,16R)-13-methoxy-3,15-dimethyl-6-[(2S)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-en-15-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R)-7beta-[(1S,2Z)-1,5-Dimethyl-2,4-hexadienyl]-1,9abeta-dimethyl-2aalpha-methoxy-2,2a,4,6,6aalpha,7,8,9,9a,10,10abeta,10balpha-dodecahydro-1H-3-oxacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-1alpha-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R)-7beta-[(1S,2Z)-1,5-Dimethyl-2,4-hexadienyl]-1,9abeta-dimethyl-2abeta-methoxy-2,2a,4,6,6aalpha,7,8,9,9a,10,10abeta,10bbeta-dodecahydro-1H-3-oxacyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-1alpha-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₀O₃

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canonical SMILES

OC1(C)CC2(OC)OCC3=CCC4C(CCC4(C)CC1C32)C(C=CC=C(C)C)C

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isomeric SMILES

CO[C@@]12C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)C=CC=C(C)C)[C@@H]4CC=C(CO1)[C@H]32

0 references

found in taxon

Aspergillus ustus

1 reference

stated in

Ophiobolin Sesterterpenoids and Pyrrolidine Alkaloids from the Sponge-Derived Fungus Aspergillus ustus

Identifiers

InChI

InChI=1S/C26H40O3/c1-17(2)8-7-9-18(3)20-12-13-24(4)14-22-23-19(10-11-21(20)24)15-29-26(23,28-6)16-25(22,5)27/h7-10,18,20-23,27H,11-16H2,1-6H3/t18-,20+,21-,22-,23+,24+,25+,26-/m0/s1

0 references

InChIKey

FGDVBOIMXKJEPX-JRVMZHHJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGDVBOIMXKJEPX-JRVMZHHJSA-N

(Q104994845)

(1S,3R,6R,7S,13S,15R,16S)-13-methoxy-3,15-dimethyl-6-[(2S)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-en-15-ol

Statements

Identifiers

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