(Q105192979)

English

[(1R,4R,4aS,5S,6R,8aS)-4-acetyloxy-6-hydroxy-1,4a,6-trimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl icosanoate

chemical compound

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

0 references

mass

658.553625468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₄O₅

0 references

canonical SMILES

O=C(OC1CCC(C)(COC(=O)CCCCCCCCCCCCCCCCCCC)C2CCC(O)(C)C(CC=C(C=C)C)C12C)C

0 references

isomeric SMILES

C=C/C(C)=C/C[C@H]1[C@]2(C)[C@@H](CC[C@@]1(C)O)[C@](C)(COC(=O)CCCCCCCCCCCCCCCCCCC)CC[C@H]2OC(C)=O

0 references

found in taxon

Aristeguietia buddleaefolia

1 reference

stated in

Neue labdan-derivate aus Aristeguietia buddleaefolia

Identifiers

InChI

InChI=1S/C42H74O5/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-39(44)46-33-40(5)31-30-38(47-35(4)43)42(7)36(40)29-32-41(6,45)37(42)28-27-34(3)9-2/h9,27,36-38,45H,2,8,10-26,28-33H2,1,3-7H3/b34-27+/t36-,37+,38+,40-,41+,42-/m0/s1

0 references

InChIKey

OJBXWJJQGJSZEP-QPPGDABUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OJBXWJJQGJSZEP-QPPGDABUSA-N

(Q105192979)

[(1R,4R,4aS,5S,6R,8aS)-4-acetyloxy-6-hydroxy-1,4a,6-trimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl icosanoate

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)