(Q125617290)

English

(E,5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,17R)-7-methoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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Statements

instance of

type of chemical entity

0 references

subclass of

lanostane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

542.3607393199999 dalton

1 reference

1 reference

C₃₃H₅₀O₆

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canonical SMILES

O=C(O)C(=CCC(OC(=O)C)C(C)C1CCC2(C3=C(CCC12C)C4(C)CCC(=O)C(C)(C)C4CC3OC)C)C

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isomeric SMILES

CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2

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found in taxon

Ganoderma

1 reference

stated in

Antitubercular Lanostane Triterpenes from Cultures of the Basidiomycete Ganoderma sp. BCC 16642.

Identifiers

InChI

InChI=1S/C33H50O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-26H,11-18H2,1-9H3,(H,36,37)/b19-10+/t20-,22+,24-,25+,26-,31+,32+,33-/m0/s1

0 references

InChIKey

LKKZTONQXUTYEZ-ZYDUTVPZSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

LKKZTONQXUTYEZ-ZYDUTVPZSA-N

(Q125617290)

(E,5S,6S)-5-acetyloxy-6-[(5R,7R,10S,13R,14R,17R)-7-methoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Statements

Identifiers

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