(Q115971858)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

ophiobolane sesterterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

386.282095076 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,6R,7S,9E,13R,15R,16R)-3,15-dimethyl-6-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-ene-13,15-diol

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₃

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canonical SMILES

OC12OCC3=CCC4C(CCC4(C)CC(C31)C(O)(C)C2)C(C=CC=C(C)C)C

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isomeric SMILES

CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)CO[C@]4(O)C[C@@]3(C)O

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found in taxon

Aspergillus insuetus

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stated in

Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus Aspergillus insuetus SD-512

Aspergillus

1 reference

stated in

Ophiobolin-Type Sesterterpenoids from the Mangrove Endophytic Fungus Aspergillus sp. ZJ-68

Identifiers

InChI

InChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)19-11-12-23(4)13-21-22-18(9-10-20(19)23)14-28-25(22,27)15-24(21,5)26/h6-9,17,19-22,26-27H,10-15H2,1-5H3/b8-6-,18-9?/t17-,19+,20-,21-,22-,23+,24+,25+/m0/s1

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InChIKey

IBUCSLMTZXQXRS-SHCZNAKKSA-N

0 references

1 reference

4 January 2023

inferred from InChIKey

(Q115971858)

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

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