(Q105228108)

English

[(1S,2R,5S,7R,9S,10S,15R,16R)-10-acetyloxy-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(acetyloxy)-15-(5,6-dimethylhept-3-en-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-11-en-10-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₅

0 references

canonical SMILES

O=C(OC1C2=C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2C4(C)CCC(OC(=O)C)CC54OC15)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C3[C@H](OC(C)=O)[C@@H]3O[C@@]32C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C

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found in taxon

Spongia officinalis

1 reference

stated in

New delta 8- and delta 8(14)-5 alpha,6 alpha-epoxysterols from the marine sponge Spongia officinalis

Identifiers

InChI

InChI=1S/C32H48O5/c1-18(2)19(3)9-10-20(4)24-11-12-25-27-26(14-15-30(24,25)7)31(8)16-13-23(35-21(5)33)17-32(31)29(37-32)28(27)36-22(6)34/h9-10,18-20,23-24,26,28-29H,11-17H2,1-8H3/b10-9+/t19-,20+,23-,24+,26-,28-,29-,30+,31+,32-/m0/s1

0 references

InChIKey

QUDURYJNEXSODI-JXTWNAKTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUDURYJNEXSODI-JXTWNAKTSA-N

(Q105228108)

[(1S,2R,5S,7R,9S,10S,15R,16R)-10-acetyloxy-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-5-yl] acetate

Statements

Identifiers

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