(Q104195045)

English

28-Chloro-22-(2-hydroxypropan-2-yl)-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-7,11-dioxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),16,19,27,29-pentaene-9,13,21-triol

group of stereoisomers with the chemical formula C₃₇H₄₄ClNO₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

indole-diterpenoid alkaloid

1 reference

inferred from

indole-diterpenoid alkaloid

mass

633.285715808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄ClNO₆

0 references

canonical SMILES

ClC=1C=C2NC3=C(C=C4CCC5(O)C67OC7C(O)C(OC6CCC5(C)C34C)C(=C)C)C2=C8C1CC(=C)C9CC(C89O)C(O)(C)C

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found in taxon

Penicillium

1 reference

stated in

Thomitrems A and E, two indole-alkaloid isoprenoids from Penicillium crustosum Thom

Identifiers

InChI

InChI=1S/C37H44ClNO6/c1-16(2)29-28(40)31-37(45-31)25(44-29)9-10-33(6)34(7)18(8-11-35(33,37)42)13-20-26-23(39-30(20)34)15-22(38)19-12-17(3)21-14-24(32(4,5)41)36(21,43)27(19)26/h13,15,21,24-25,28-29,31,39-43H,1,3,8-12,14H2,2,4-7H3

0 references

InChIKey

PMPHDHXBVFVWMQ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PMPHDHXBVFVWMQ-UHFFFAOYSA-N

(Q104195045)

28-Chloro-22-(2-hydroxypropan-2-yl)-2,3-dimethyl-25-methylidene-8-prop-1-en-2-yl-7,11-dioxa-31-azanonacyclo[16.13.0.02,16.03,13.06,12.010,12.019,30.020,27.021,24]hentriaconta-1(18),16,19,27,29-pentaene-9,13,21-triol

Statements

Identifiers

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