(Q105331419)

English

(1S,2S,3'aR,4aS,4bS,7S,8aR,10aS)-3'a-hydroperoxy-5',7-dihydroxy-2,4b,7',8,8,10a-hexamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-4'-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3'a-hydroperoxy-5',7-dihydroxy-2,4b,7',8,8,10a-hexamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-4'-one

1 reference

based on heuristic

inferred from SMILES

mass

460.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₆

0 references

canonical SMILES

O=C1C(O)=CC(=C2OC3(CC12OO)C(C)CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C

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isomeric SMILES

CC1=C2O[C@@]3(C[C@]2(OO)C(=O)C(O)=C1)[C@@H](C)CC[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]13C

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found in taxon

Stypopodium flabelliforme

1 reference

stated in

Neurotoxic meroditerpenoids from the tropical marine brown alga Stypopodium flabelliforme.

Identifiers

InChI

InChI=1S/C27H40O6/c1-15-13-17(28)21(30)26(33-31)14-27(32-22(15)26)16(2)7-8-19-24(5)11-10-20(29)23(3,4)18(24)9-12-25(19,27)6/h13,16,18-20,28-29,31H,7-12,14H2,1-6H3/t16-,18-,19-,20-,24-,25-,26-,27-/m0/s1

0 references

InChIKey

XMTMOTDCSZUWHY-GGHKKPGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMTMOTDCSZUWHY-GGHKKPGJSA-N

(Q105331419)

(1S,2S,3'aR,4aS,4bS,7S,8aR,10aS)-3'a-hydroperoxy-5',7-dihydroxy-2,4b,7',8,8,10a-hexamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-4'-one

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