(Q105148990)

English

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-13-methyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,5,6-Trihydroxy-13-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

1 reference

C₃₀H₅₀O₅

0 references

canonical SMILES

O=C(OCC12CCC(O)CC2(O)C(O)CC3C4CCC(C(C)CCC(=C)C(C)C)C4(C)CCC31)C

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isomeric SMILES

C=C(CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(COC(C)=O)[C@H]3CC[C@@]21C)C(C)C

0 references

found in taxon

Stereonephthya armata

1 reference

stated in

New nardosinanes and 19-oxygenated ergosterols from the soft coral Nephthea armata collected in Taiwan.

Identifiers

InChI

InChI=1S/C30H50O5/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,17-35-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32-34H,3,7-17H2,1-2,4-6H3/t20-,22-,23-,24+,25-,26-,27+,28+,29-,30-/m0/s1

0 references

InChIKey

LAVASOSSYAPADQ-YPBRCZMQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LAVASOSSYAPADQ-YPBRCZMQSA-N

(Q105148990)

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-13-methyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate

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Identifiers

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