(Q104971940)

English

(1S,4R,6R,7S,12R,13S,16R,18R)-6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁷,¹²]nonadecan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,6R,7R,12R,13S,16R,18R)-6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OC2OC(O)C3C(C)(C)CCCC23C4CCC5C(=C)C(O)C14C5

0 references

isomeric SMILES

C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2O[C@@H](O)[C@H]4C(C)(C)CCC[C@]432)[C@@H]1O

0 references

found in taxon

Isodon phyllostachys

1 reference

stated in

Three New ent-Kauranoids from Isodon phyllostachys

Identifiers

InChI

InChI=1S/C20H28O5/c1-10-11-5-6-12-19-8-4-7-18(2,3)13(19)15(22)24-17(19)25-16(23)20(12,9-11)14(10)21/h11-15,17,21-22H,1,4-9H2,2-3H3/t11-,12+,13+,14-,15-,17-,19-,20+/m1/s1

0 references

InChIKey

CXNYLUJFZZXBEK-TZKJZBJJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CXNYLUJFZZXBEK-TZKJZBJJSA-N

(Q104971940)

(1S,4R,6R,7S,12R,13S,16R,18R)-6,18-dihydroxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one

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Identifiers

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