(Q105176380)

English

(1S,2S,4R,6S,8S,9R,10R,13R,14R,16S,17R)-8,16,17-trihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one

chemical compound

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instance of

type of chemical entity

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subclass of

8,16,17-Trihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,4R,6R,8S,9R,10R,13R,14R,16S,17R)-8,16,17-trihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₅

0 references

canonical SMILES

O=C1CC2(C)C3C(OC(C=C(C)C)CC3(O)C)CC2(C)C4CC=C5C(CC(O)C(O)C5(C)C)C14C

0 references

isomeric SMILES

CC(C)=C[C@@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1

0 references

found in taxon

Tarenna ebracteata

1 reference

stated in

Cucurbitacins from Wilbrandia ebracteata

Identifiers

InChI

InChI=1S/C30H46O5/c1-16(2)11-17-13-29(7,34)24-21(35-17)14-27(5)22-10-9-18-19(12-20(31)25(33)26(18,3)4)30(22,8)23(32)15-28(24,27)6/h9,11,17,19-22,24-25,31,33-34H,10,12-15H2,1-8H3/t17-,19-,20+,21-,22+,24+,25+,27+,28-,29+,30+/m1/s1

0 references

InChIKey

NALAELRWTLBCQF-JUOLRZCASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NALAELRWTLBCQF-JUOLRZCASA-N

(Q105176380)

(1S,2S,4R,6S,8S,9R,10R,13R,14R,16S,17R)-8,16,17-trihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one

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