(Q104982635)

English

(Z)-5-[(1R,4aR,7R,8aR)-7-methoxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(acetyloxymethyl)-5-(7-methoxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)pent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

392.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₆O₅

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canonical SMILES

O=C(O)C=C(COC(=O)C)CCC1C(=C)CCC2C(C)(C)CC(OC)CC12C

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isomeric SMILES

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

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found in taxon

Chrysocephalum ambiguum

1 reference

stated in

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Leiocarpa semicalva

1 reference

stated in

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Identifiers

InChI

InChI=1S/C23H36O5/c1-15-7-10-20-22(3,4)12-18(27-6)13-23(20,5)19(15)9-8-17(11-21(25)26)14-28-16(2)24/h11,18-20H,1,7-10,12-14H2,2-6H3,(H,25,26)/b17-11-/t18-,19-,20-,23+/m1/s1

0 references

InChIKey

DJQKFSICWYZNNP-QBNDNERMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DJQKFSICWYZNNP-QBNDNERMSA-N

(Q104982635)

(Z)-5-[(1R,4aR,7R,8aR)-7-methoxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid

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Identifiers

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