(Q105306289)

English

(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,4a-dimethyl-6-methylidene-5-[3-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

436.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₆

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canonical SMILES

O=CC1(C)CCCC2(C)C(C(=C)CCC12)CCC(=CCOC3OCC(O)C(O)C3O)C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(C=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Thujopsis dolabrata

1 reference

stated in

A diterpene glycoside and lignans from seed of Thujopsis dolabrata

Thujopsis dolabrata var. hondae

1 reference

stated in

A diterpene glycoside and lignans from seed of Thujopsis dolabrata

Identifiers

InChI

InChI=1S/C25H40O6/c1-16(10-13-30-23-22(29)21(28)19(27)14-31-23)6-8-18-17(2)7-9-20-24(3,15-26)11-5-12-25(18,20)4/h10,15,18-23,27-29H,2,5-9,11-14H2,1,3-4H3/b16-10+/t18-,19+,20-,21-,22+,23+,24+,25+/m0/s1

0 references

InChIKey

WIJVYZMSIKCSPP-KAYYUNIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WIJVYZMSIKCSPP-KAYYUNIKSA-N

(Q105306289)

(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde

Statements

Identifiers

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