(Q105165071)

English

(1S,4S,5R,8S,11R,13R,14S,17R,18S,20R,23R,24R)-23-ethoxy-20-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₅₂O₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

friedelane triterpenoid

1 reference

inferred from

friedelane triterpenoid

mass

516.3814747639999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₂O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC56C(OCC)OC(C(O)CC5C4(C)CCC3(C)C2C1)C6C

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isomeric SMILES

CCO[C@@H]1OC2[C@H](O)C[C@@H]3[C@@]1(CC[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]13C)[C@H]2C

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Identifiers

InChI

InChI=1S/C32H52O5/c1-8-36-26-32-10-9-21-29(5,22(32)17-20(33)24(37-26)19(32)2)14-16-31(7)23-18-28(4,25(34)35)12-11-27(23,3)13-15-30(21,31)6/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t19-,20+,21-,22-,23+,24?,26+,27+,28+,29+,30+,31-,32+/m0/s1

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InChIKey

MILUXBBEUPIOMH-RCBJQPBOSA-N

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PubChem CID

163187393

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MILUXBBEUPIOMH-RCBJQPBOSA-N

(Q105165071)

(1S,4S,5R,8S,11R,13R,14S,17R,18S,20R,23R,24R)-23-ethoxy-20-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid

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Identifiers

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