(Q104959238)

English

(1R,4S,5R,8R,10S,13R,14R,18S,20R,21S)-10-hydroxy-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=C1OC2CC13CCC4(C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C3CC2(C)CO)C

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isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CO)[C@@H]4C[C@@]3(CC[C@]21C)C(=O)O4

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found in taxon

Stenocereus eruca

1 reference

stated in

New Triterpenes fromMachaerocereus eruca

Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23-16-30(19,24(33)34-23)14-13-28(18,29)5/h7,19-23,31-32H,8-17H2,1-6H3/t19-,20-,21+,22-,23-,26+,27-,28+,29+,30+/m0/s1

0 references

InChIKey

CHTCCKSXBYVSBJ-VXJFNEKYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CHTCCKSXBYVSBJ-VXJFNEKYSA-N

(Q104959238)

(1R,4S,5R,8R,10S,13R,14R,18S,20R,21S)-10-hydroxy-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-23-one

Statements

Identifiers

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