(Q104202464)

English

7,9,11,12,13,14,15-Heptahydroxy-10-(5-hydroxy-6-methyloxan-2-yl)oxy-6'-(3-hydroxypentan-2-yl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3-one

group of stereoisomers with the chemical formula C₅₄H₉₄O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

998.654186928 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₄H₉₄O₁₆

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canonical SMILES

O=C1OC2C(C)C(OC3(OC(C(C)CC3)C(C)C(O)CC)C2C)CCC(C=CC=CCC(C)C(O)C(O)(CCC)C(O)C(O)C(O)C(OC4OC(C)C(O)CC4)C(O)C(C)C(O)C(C=C1)C)CC(O)C

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found in taxon

Micromonospora cinerea

1 reference

stated in

IB-96212, a novel cytotoxic macrolide produced by a marine Micromonospora. II. Physico-chemical properties and structure determination

Identifiers

InChI

InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3

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InChIKey

ZJMNECRCNSUGSV-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZJMNECRCNSUGSV-UHFFFAOYSA-N

1 reference

(Q104202464)

7,9,11,12,13,14,15-Heptahydroxy-10-(5-hydroxy-6-methyloxan-2-yl)oxy-6'-(3-hydroxypentan-2-yl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3-one

Statements

Identifiers

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