(Q104987705)

English

(2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

16-Hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

450.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₄

0 references

canonical SMILES

O=C(O)C1(C(=O)CC2(C)CCC3(C4=CCC5=C(C(=C(O)C=C5C4(C)CC3(C)C2C1)C)C)C)C

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isomeric SMILES

Cc1c(O)cc2c(c1C)CC=C1[C@]2(C)C[C@]2(C)[C@H]3C[C@@](C)(C(=O)O)C(=O)C[C@@]3(C)CC[C@@]12C

0 references

found in taxon

Celastrus hypoleucus

1 reference

stated in

A New Nortriterpene from the Root of Celastrus hypoleucus

Identifiers

InChI

InChI=1S/C29H38O4/c1-16-17(2)20(30)12-19-18(16)8-9-21-27(19,5)15-29(7)22-13-26(4,24(32)33)23(31)14-25(22,3)10-11-28(21,29)6/h9,12,22,30H,8,10-11,13-15H2,1-7H3,(H,32,33)/t22-,25+,26+,27+,28-,29+/m0/s1

0 references

InChIKey

DRXRNCTZKZSNHI-INQIZSKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DRXRNCTZKZSNHI-INQIZSKWSA-N

(Q104987705)

(2R,5R,8R,10S,11R,13R)-16-hydroxy-2,5,8,11,13,17,18-heptamethyl-7-oxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),14,16,18-tetraene-8-carboxylic acid

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Identifiers

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