(Q105003621)

English

(5R,8R,9R,10R,13R,14R,17S)-17-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5-Hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(C(=C)CCC(O)C(=C)C)CCC43C)C1(C)C

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isomeric SMILES

C=C(CC[C@@H](O)C(=C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Chisocheton macrophyllus

1 reference

stated in

Phytochemical Studies on Meliaceous Plants. VIII. Structures and Inhibitory Effects on Epstein-Barr Virus Activation of Triterpenoids from Leaves of Chisocheton macrophyllus King.

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)23(31)11-9-20(3)21-13-17-29(7)22(21)10-12-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-25,31H,1,3,9-18H2,2,4-8H3/t21-,22-,23-,24+,25-,28+,29-,30-/m1/s1

0 references

InChIKey

FWVMDBXDZDSDKH-USRSQHHDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWVMDBXDZDSDKH-USRSQHHDSA-N

(Q105003621)

(5R,8R,9R,10R,13R,14R,17S)-17-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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