(Q104920529)

English

methyl (1R,4aS,5R,6R,8S,8aR)-6,8-dihydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 6,8-dihydroxy-1,4a,6-trimethyl-5-[3-methyl-5-(3-methyl-5-oxo-2H-furan-2-yl)pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

448.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₆

0 references

canonical SMILES

O=C1OC(C(=C1)C)CC=C(C)CCC2C(O)(C)CC(O)C3C(C(=O)OC)(C)CCCC23C

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isomeric SMILES

COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/C[C@@H]3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@H]21

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found in taxon

Salvia hypoleuca

1 reference

stated in

Sesterterpenes from Salvia hypoleuca

Salvia sahendica

1 reference

stated in

Salvileucolide methylester, a sesterterpene from Salvia Sahendica

Identifiers

InChI

InChI=1S/C26H40O6/c1-16(8-10-19-17(2)14-21(28)32-19)9-11-20-24(3)12-7-13-25(4,23(29)31-6)22(24)18(27)15-26(20,5)30/h8,14,18-20,22,27,30H,7,9-13,15H2,1-6H3/b16-8+/t18-,19-,20+,22+,24+,25+,26+/m0/s1

0 references

InChIKey

AXGMJVVDWMSLFF-KUGYBGHRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104920529)

methyl (1R,4aS,5R,6R,8S,8aR)-6,8-dihydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

Statements

Identifiers

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