(Q104979480)

English

(1R,2R,4S,5R,7R,8S,9R,12S,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5,14,15,16,19,20-Hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one

1 reference

1 reference

480.308703748 dalton

1 reference

1 reference

C₂₇H₄₄O₇

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canonical SMILES

O=C1C2C3C(O)C(O)C4CC(O)C(O)C(O)C4(C)C3CCC2(C)C5C(C)CC(O)(CC(C)C)C15

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isomeric SMILES

CC(C)C[C@@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1[C@H]3[C@H](CC[C@]21C)[C@@]1(C)[C@H](O)[C@H](O)[C@@H](O)C[C@@H]1[C@@H](O)[C@@H]3O

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found in taxon

Haliclona

1 reference

stated in

Haliclostanone sulfate and halistanol sulfate from an Indo-Pacific Haliclona sponge

Identifiers

InChI

InChI=1S/C27H44O7/c1-11(2)9-27(34)10-12(3)17-19(27)23(32)18-16-13(6-7-25(17,18)4)26(5)14(20(29)22(16)31)8-15(28)21(30)24(26)33/h11-22,24,28-31,33-34H,6-10H2,1-5H3/t12-,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,24-,25-,26-,27-/m1/s1

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InChIKey

DGXRPSIAVFYMOL-GXUOCEDMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGXRPSIAVFYMOL-GXUOCEDMSA-N

(Q104979480)

(1R,2R,4S,5R,7R,8S,9R,12S,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one

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Identifiers

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