(Q105200415)

English

[(1S,3S,8R,9R,11R,12S,13S,14S,18R,19R)-12-acetyloxy-8-hydroxy-1,11,14,18-tetramethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicos-4-en-18-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

488.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₆

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C1CCC3(C)CC4C=C5COC(O)C5CC4(C)C(OC(=O)C)C32)C

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isomeric SMILES

CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@]4(C)C[C@@H]5C(=C[C@@H]4C[C@]3(C)CC[C@H]21)CO[C@H]5O

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found in taxon

Hyrtios erectus

1 reference

stated in

Antimycobacterial Scalarane-Based Sesterterpenes from the Red Sea SpongeHyrtios erecta.

Identifiers

InChI

InChI=1S/C29H44O6/c1-17(30)34-16-27(4)9-7-10-28(5)22(27)8-11-26(3)13-20-12-19-15-33-25(32)21(19)14-29(20,6)24(23(26)28)35-18(2)31/h12,20-25,32H,7-11,13-16H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

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InChIKey

OUSYQUBOSREUJU-HRJGVYIJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OUSYQUBOSREUJU-HRJGVYIJSA-N

(Q105200415)

[(1S,3S,8R,9R,11R,12S,13S,14S,18R,19R)-12-acetyloxy-8-hydroxy-1,11,14,18-tetramethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicos-4-en-18-yl]methyl acetate

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Identifiers

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