(Q105132635)

English

(1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21S,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,3-Dihydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

20,21-Dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

(1S,4S,5R,8S,11R,13R,14S,17R,18S,20R,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

488.350174636 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4S,5R,8S,11R,13R,14S,17R,18S,20R,21R,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(C(O)CC5C4(C)CCC3(C)C2C1)C6C

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isomeric SMILES

C[C@H]1[C@]2(O)OC[C@@]13CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]14C)[C@@H]3C[C@H]2O

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Anti-aids agents, 6. Salaspermic acid, an anti-HIV principle from Tripterygium wilfordii, and the structure-activity correlation with its related compounds

Identifiers

InChI

InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1

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InChIKey

JPAXVSRGFJVPEU-YNEMAXQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPAXVSRGFJVPEU-YNEMAXQBSA-N

1 reference

(Q105132635)

(1R,4S,5R,8S,11R,13R,14S,17R,18S,20R,21S,24R)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracosane-11-carboxylic acid

Statements

Identifiers

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