(Q105345759)

English

3-[[[(8aalpha)-Decahydro-1,2beta,4abeta-trimethyl-5-methylenenaphthalen]-1alpha-yl]methyl]-4,5-diacetoxybenzoic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

456.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₆

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canonical SMILES

O=C(OC)C1=CC(OC(=O)C)=C(OC(=O)C)C(=C1)CC2(C)C(C)CCC3(C(=C)CCCC32)C

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isomeric SMILES

C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(OC(C)=O)c1OC(C)=O

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found in taxon

Fasciospongia turgida

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stated in

New sesquiterpene hydroquinones from a Taiwanese marine sponge Polyfibrospongia australis

Identifiers

InChI

InChI=1S/C27H36O6/c1-16-9-8-10-23-26(16,5)12-11-17(2)27(23,6)15-21-13-20(25(30)31-7)14-22(32-18(3)28)24(21)33-19(4)29/h13-14,17,23H,1,8-12,15H2,2-7H3/t17-,23+,26+,27+/m0/s1

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InChIKey

YBCLBOXMSYZSLC-BPBXRESRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YBCLBOXMSYZSLC-BPBXRESRSA-N

1 reference

(Q105345759)

3-[[[(8aalpha)-Decahydro-1,2beta,4abeta-trimethyl-5-methylenenaphthalen]-1alpha-yl]methyl]-4,5-diacetoxybenzoic acid methyl ester

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Identifiers

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