(Q105034339)

English

(2S,3R,6S,8R,9R,12S,15S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol

chemical compound

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instance of

type of chemical entity

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subclass of

2,3,23,23,25,25-hexamethyl-8-(prop-1-en-2-yl)-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12-diol

1 reference

based on heuristic

inferred from SMILES

mass

569.350508984 dalton

1 reference

1 reference

C₃₇H₄₇NO₄

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canonical SMILES

OC1C=C2C(OC1C(=C)C)CCC3(C)C2(O)CCC4CC=5C6=CC7=C(C=C6NC5C43C)C8=CC(OC(C)(C)C8C7)(C)C

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isomeric SMILES

C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@H]1O

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found in taxon

Penicillium janthinellum

1 reference

stated in

Janthitrems B and C, two principal indole-diterpenoids produced by Penicillium janthinellum

Penicillium simplicissimum

1 reference

stated in

Janthitrems B and C, two principal indole-diterpenoids produced by Penicillium janthinellum

Penicillium ianthinellum

1 reference

stated in

Janthitrems B and C, two principal indole-diterpenoids produced by Penicillium janthinellum

Identifiers

InChI

InChI=1S/C37H47NO4/c1-19(2)31-29(39)17-27-30(41-31)10-11-35(7)36(8)21(9-12-37(27,35)40)15-24-23-13-20-14-26-25(18-33(3,4)42-34(26,5)6)22(20)16-28(23)38-32(24)36/h13,16-18,21,26,29-31,38-40H,1,9-12,14-15H2,2-8H3/t21-,26+,29+,30-,31+,35+,36+,37+/m0/s1

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InChIKey

HVLXXQDJGPKVMK-RISIKYRBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVLXXQDJGPKVMK-RISIKYRBSA-N

(Q105034339)

(2S,3R,6S,8R,9R,12S,15S,22R)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol

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