(Q104202236)

English

3',15',16',17',18',20',21'-heptahydroxy-6-(2-hydroxybutyl)-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0³,⁷]triacontane]-8',22'-dien-24'-one

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

770.4816423 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₀O₁₃

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canonical SMILES

O=C1OC2CC3(OC(CCC3)CC(O)CC)OC(CC4(O)OC(C)(C)CC4C=CCCCCCC(O)(C)C(O)C(O)C(O)C(C)C(O)C(O)(C=C1)C)C2C

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found in taxon

Streptomyces

1 reference

stated in

NK154183A and B, Antitumor Substances Produced by Streptomyces sp.

Identifiers

InChI

InChI=1S/C41H70O13/c1-8-28(42)21-29-16-14-19-40(52-29)23-30-25(2)31(53-40)24-41(50)27(22-37(4,5)54-41)15-12-10-9-11-13-18-38(6,48)36(47)34(45)33(44)26(3)35(46)39(7,49)20-17-32(43)51-30/h12,15,17,20,25-31,33-36,42,44-50H,8-11,13-14,16,18-19,21-24H2,1-7H3

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InChIKey

ZACXIZMUUXGJHL-UHFFFAOYSA-N

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CAS Registry Number

152986-47-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZACXIZMUUXGJHL-UHFFFAOYSA-N

DSSTox substance ID

DTXSID201097991

1 reference

matched by identifier from

InChIKey

ZACXIZMUUXGJHL-UHFFFAOYSA-N

(Q104202236)

3',15',16',17',18',20',21'-heptahydroxy-6-(2-hydroxybutyl)-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0³,⁷]triacontane]-8',22'-dien-24'-one

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Identifiers

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