(Q104907962)

English

(5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

1 reference

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5S,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChIKey

(5R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2(C3=CCC4(C)C(CCC4(C3=CCC2C1(C)C)C)C(C)CCC(O)C(O)(C)C)C

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isomeric SMILES

C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C

0 references

found in taxon

Ganoderma lucidum

5 references

stated in

Two New Lanostanoids from Ganoderma lucidum

stated in

Triterpenes from the spores of Ganoderma lucidum and their inhibitory activity against HIV-1 protease

stated in

Fragmentation pathways of oxygenated tetracyclic triterpenoids and their application in the qualitative analysis of Ganoderma lucidum by multistage tandem mass spectrometry.

stated in

Cytotoxic triterpenoids from Ganoderma lucidum

stated in

Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25+,28-,29-,30+/m1/s1

0 references

InChIKey

AAJIHHYEPHRIET-XEFAKFPISA-N

0 references

CAS Registry Number

107900-76-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

190726

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3/t19-,20-,23+,25+,28-,29-,30+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

AAJIHHYEPHRIET-XEFAKFPISA-N

(Q104907962)

(5R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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