(Q105346088)

English

(1S,2S,3'aS,6S,6'aR,9R,9'aR,9'bS,12R)-9-hydroxy-3',5,6',15-tetramethylidenespiro[3-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-12,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8',14-tetrone

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9'-hydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

502.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3'aS,6S,6'aR,9S,9'aR,9'bS,12S)-9-hydroxy-3',5,6',15-tetramethylidenespiro[3-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-12,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8',14-tetrone

1 reference

1 reference

C₃₀H₃₀O₇

0 references

canonical SMILES

O=C1OC2C3C(=C)C(=O)C4=C3C(O)(CCC2C1=C)CCC54C(=O)CC6C(=C)CCC7C(=C)C(=O)OC7C65

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(O)CC[C@]3(C(=O)C[C@H]4C(=C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@H]43)C3=C1[C@H]2C(=C)C3=O

0 references

found in taxon

Moquiniastrum polymorphum

1 reference

stated in

Dimeric guaianolides and other constituents from Gochnatia species

Identifiers

InChI

InChI=1S/C30H30O7/c1-12-5-6-16-13(2)28(34)37-26(16)21-18(12)11-19(31)30(21)10-9-29(35)8-7-17-14(3)27(33)36-25(17)20-15(4)24(32)23(30)22(20)29/h16-18,20-21,25-26,35H,1-11H2/t16-,17-,18-,20+,21-,25-,26-,29+,30+/m0/s1

0 references

InChIKey

YBWJOCYIEKRETE-ZKHJZEAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YBWJOCYIEKRETE-ZKHJZEAOSA-N

(Q105346088)

(1S,2S,3'aS,6S,6'aR,9R,9'aR,9'bS,12R)-9-hydroxy-3',5,6',15-tetramethylidenespiro[3-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-12,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8',14-tetrone

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Identifiers

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