(Q105344639)

English

(10S,18S)-10-(3-hydroxyphenyl)-19-azahexacyclo[20.2.2.18,19.02,7.010,18.011,16]heptacosa-1(24),2(7),3,5,8(27),11(16),12,14,22,25-decaene-5,12,24-triol

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

alkaloid

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mass

489.194008344 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₂₇NO₄

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canonical SMILES

OC1=CC=CC(=C1)C23C=4C(O)=CC=CC4CC3N5C=C(C=6C=C(O)C=CC6C=7C=CC(=CC7O)CC5)C2

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isomeric SMILES

Oc1cccc([C@]23CC4=CN(CCc5ccc(c(O)c5)-c5ccc(O)cc54)[C@H]2Cc2cccc(O)c23)c1

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found in taxon

Aplidium haouarianum

1 reference

stated in

Haouamines A and B: a new class of alkaloids from the ascidian Aplidium haouarianum

Identifiers

InChI

InChI=1S/C32H27NO4/c34-23-5-2-4-22(15-23)32-17-21-18-33(30(32)14-20-3-1-6-28(36)31(20)32)12-11-19-7-9-26(29(37)13-19)25-10-8-24(35)16-27(21)25/h1-10,13,15-16,18,30,34-37H,11-12,14,17H2/t30-,32+/m0/s1

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InChIKey

XYRPFAQDABXKMI-XDFJSJKPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYRPFAQDABXKMI-XDFJSJKPSA-N

(Q105344639)

(10S,18S)-10-(3-hydroxyphenyl)-19-azahexacyclo[20.2.2.18,19.02,7.010,18.011,16]heptacosa-1(24),2(7),3,5,8(27),11(16),12,14,22,25-decaene-5,12,24-triol

Statements

Identifiers

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