(Q105384514)

English

(1S,2S,4aR,4bS,7S,8aR,10aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,2S,8aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

442.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,4aS,4bS,7S,8aR,10aS)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₅

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canonical SMILES

O=CC1=CC(O)=C(O)C2=C1OC3(C2)C(C)CCC4C5(C)CCC(O)C(C)(C)C5CCC43C

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isomeric SMILES

C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(O)c(O)cc(C=O)c1O2

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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/C27H38O5/c1-15-6-7-20-25(4)10-9-21(30)24(2,3)19(25)8-11-26(20,5)27(15)13-17-22(31)18(29)12-16(14-28)23(17)32-27/h12,14-15,19-21,29-31H,6-11,13H2,1-5H3/t15-,19-,20+,21-,25-,26+,27-/m0/s1

0 references

InChIKey

ZVQININUIPKADP-OAVPNAJUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105384514)

(1S,2S,4aR,4bS,7S,8aR,10aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

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