(Q105005325)

English

(2R,4aS,4bR,6aR,8S,10aR,10bR)-8-hydroxy-2,4a,4b,7,7,10a-hexamethyl-2-[(3S)-3-methylpentyl]-3,4,5,6,6a,8,9,10,10b,11-decahydrochrysen-1-one

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

O=C1C2=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CCC1(C)CCC(C)CC

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isomeric SMILES

CC[C@H](C)CC[C@]1(C)CC[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]32C)C1=O

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1 reference

A new 18,19-secoursane triterpene from the leaves of Diospyros kaki

Identifiers

InChI=1S/C30H50O2/c1-9-20(2)12-15-27(5)18-19-29(7)21(25(27)32)10-11-23-28(6)16-14-24(31)26(3,4)22(28)13-17-30(23,29)8/h10,20,22-24,31H,9,11-19H2,1-8H3/t20-,22-,23+,24-,27+,28-,29+,30+/m0/s1

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GADUESJTINJEPD-LCTNEHIHSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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