(Q105378429)

English

(1R,3S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

chemical compound

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instance of

type of chemical entity

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subclass of

8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3S,4R,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,4S,4aS,8S,8aR)-8-(Hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)decalin-1,3-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

OCC1(C)CCCC2(C)C(CCC(=C)C=C)C(O)(C)CC(O)C12

0 references

isomeric SMILES

C=CC(=C)CC[C@H]1[C@@](C)(O)C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@@]21C

0 references

found in taxon

Sideritis lasiantha

1 reference

stated in

Diterpenoids from Sideritis foetens

Sideritis arborescens

1 reference

stated in

Diterpenoids from Sideritis foetens

Identifiers

InChI

InChI=1S/C20H34O3/c1-6-14(2)8-9-16-19(4)11-7-10-18(3,13-21)17(19)15(22)12-20(16,5)23/h6,15-17,21-23H,1-2,7-13H2,3-5H3/t15-,16-,17-,18-,19-,20+/m1/s1

0 references

InChIKey

ZKFWEINMPAYZON-PJBUMPDVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZKFWEINMPAYZON-PJBUMPDVSA-N

(Q105378429)

(1R,3S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

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