(Q104202870)

English

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(30),20(27),28-pentaene-9,13,21-triol

group of stereoisomers with the chemical formula C₃₇H₄₅NO₆

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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

599.32468816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₅NO₆

0 references

canonical SMILES

OC1C(OC2CCC3(C)C(O)(CCC4=CC=5C=6C(=CC=C7C6C8(O)C(C(=C)C7)CC8C(O)(C)C)NC5C43C)C92OC19)C(=C)C

0 references

found in taxon

Penicillium

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C37H45NO6/c1-17(2)29-28(39)31-37(44-31)25(43-29)11-12-33(6)34(7)20(10-13-35(33,37)41)15-21-26-23(38-30(21)34)9-8-19-14-18(3)22-16-24(32(4,5)40)36(22,42)27(19)26/h8-9,15,22,24-25,28-29,31,38-42H,1,3,10-14,16H2,2,4-7H3

0 references

InChIKey

ZWRTYVFRLUECPA-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWRTYVFRLUECPA-UHFFFAOYSA-N

(Q104202870)

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(30),20(27),28-pentaene-9,13,21-triol

Statements

Identifiers

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