(Q105379674)

English

(1R,2S,3S,6S,7S,8R,12S,16S,18S,21R)-6,7,21-trihydroxy-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosan-20-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2S,6R,7S,8R,16S,21R)-6,7,21-trihydroxy-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.0¹,⁶.0²,¹⁶.0³,⁸.0³,¹²]henicosan-20-one

1 reference

based on heuristic

inferred from SMILES

(1R,2S,6S,7S,8R,12S,16S,18S,21R)-6,7,21-trihydroxy-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.0¹,⁶.0²,¹⁶.0³,⁸.0³,¹²]henicosan-20-one

1 reference

based on heuristic

inferred from SMILES

mass

420.214803364 dalton

1 reference

1 reference

C₂₃H₃₂O₇

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canonical SMILES

O=C1C(=C)C2CC3OC(OC4CCC(C)(C)C5C(O)C6(O)OCC45C3C16C2O)(C)C

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isomeric SMILES

C=C1C(=O)[C@@]23[C@H]4[C@H](C[C@@H]1[C@H]2O)OC(C)(C)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC[C@@]142

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found in taxon

Isodon enanderianus

1 reference

stated in

Diterpenoids from Isodon enanderianus

Identifiers

InChI

InChI=1S/C23H32O7/c1-10-11-8-12-14-21-9-28-23(27,22(14,16(10)24)17(11)25)18(26)15(21)19(2,3)7-6-13(21)30-20(4,5)29-12/h11-15,17-18,25-27H,1,6-9H2,2-5H3/t11-,12-,13-,14-,15+,17+,18-,21+,22-,23+/m0/s1

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InChIKey

ZMQMQOGLLZCWSG-BMAXGERGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMQMQOGLLZCWSG-BMAXGERGSA-N

(Q105379674)

(1R,2S,3S,6S,7S,8R,12S,16S,18S,21R)-6,7,21-trihydroxy-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosan-20-one

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Identifiers

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