(Q104945220)

English

(2S)-3-[(E,1R)-6-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

chemical compound

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1 reference

3-[(E,1R)-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

3-[(1R)-6-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

3-[6-(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

402.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₄

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canonical SMILES

O=C1OC(O)C(=C1)C(O)CC=C(C)CCC2(C)C(C)CCC3(C(=C)CCCC32)C

0 references

isomeric SMILES

C=C1CCC[C@@H]2[C@@](C)(CC/C(C)=C/C[C@@H](O)C3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C

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found in taxon

Thorectandra

1 reference

stated in

Thorectandrols A and B, new cytotoxic sesterterpenes from the marine sponge Thorectandra species

Identifiers

InChI

InChI=1S/C25H38O4/c1-16(9-10-20(26)19-15-22(27)29-23(19)28)11-13-24(4)18(3)12-14-25(5)17(2)7-6-8-21(24)25/h9,15,18,20-21,23,26,28H,2,6-8,10-14H2,1,3-5H3/b16-9+/t18-,20-,21-,23+,24+,25+/m1/s1

0 references

InChIKey

BSFHWMNYTJRBTJ-HDNIYKJGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BSFHWMNYTJRBTJ-HDNIYKJGSA-N

(Q104945220)

(2S)-3-[(E,1R)-6-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-1-hydroxy-4-methylhex-3-enyl]-2-hydroxy-2H-furan-5-one

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