(Q104909192)

English

(1S,3S,4R,4aS,8R,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

4-[2-(Furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3R,4S,4aR,8R,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C1C(O)C2C(C)(CO)CCCC2(C)C(O)(CCC3=COC=C3)C1C

0 references

isomeric SMILES

C[C@@H]1C(=O)[C@@H](O)[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]1(O)CCc1ccoc1

0 references

found in taxon

Ballota nigra

2 references

stated in

Structures of three new diterpenoids from Ballota species

stated in

The structure of ballotenol, a new diterpenoid from Ballota nigra

Leonurus persicus

1 reference

stated in

Further Labdane Diterpenoids Isolated fromLeonuruspersicus1

Identifiers

InChI

InChI=1S/C20H30O5/c1-13-15(22)16(23)17-18(2,12-21)7-4-8-19(17,3)20(13,24)9-5-14-6-10-25-11-14/h6,10-11,13,16-17,21,23-24H,4-5,7-9,12H2,1-3H3/t13-,16-,17+,18+,19+,20-/m1/s1

0 references

InChIKey

ACMWVFQSRHHUMC-VCUCUUTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACMWVFQSRHHUMC-VCUCUUTFSA-N

(Q104909192)

(1S,3S,4R,4aS,8R,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)