(Q105203788)

English

[(1R,4R,4aS,5R,6R,8aR)-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 (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

0 references

mass

510.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,4aS,5R,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 (Z)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₂O₆

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canonical SMILES

O=C(OCC1(C)CCC(OC(=O)C)C2(C)C(CC=C(C=C)C)C(O)(C)CCC12)C=CC3=CC=C(O)C=C3

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isomeric SMILES

C=C/C(C)=C/C[C@@H]1[C@@]2(C)[C@H](OC(C)=O)CC[C@@](C)(COC(=O)/C=C/c3ccc(O)cc3)[C@H]2CC[C@@]1(C)O

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found in taxon

Aristeguietia buddleaefolia

1 reference

stated in

Neue labdan-derivate aus Aristeguietia buddleaefolia

Identifiers

InChI

InChI=1S/C31H42O6/c1-7-21(2)8-14-26-30(5,35)19-16-25-29(4,18-17-27(31(25,26)6)37-22(3)32)20-36-28(34)15-11-23-9-12-24(33)13-10-23/h7-13,15,25-27,33,35H,1,14,16-20H2,2-6H3/b15-11+,21-8+/t25-,26+,27-,29+,30-,31+/m1/s1

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InChIKey

OZHDEGRCZAFFLC-PUHJZASJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105203788)

[(1R,4R,4aS,5R,6R,8aR)-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 (E)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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